Robert J. Buenker
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Chemistry
Robert J. Buenker's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
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(Suggest an Edit or Addition)Robert J. Buenker's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Individualized configuration selection in CI calculations with subsequent energy extrapolation (1974) (1139)
- Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques (1978) (790)
- Energy extrapolation in CI calculations (1975) (764)
- Implementation of the table CI method: Matrix elements between configurations with the same number of open-shells (1985) (518)
- The ground state of the CN+ ion: a multi-reference Ci study (1980) (277)
- Electronically excited and ionized states of the chlorine molecule (1981) (230)
- Molecular geometry and the Mulliken-Walsh molecular orbital model. Ab initio study (1974) (197)
- A new table-direct configuration interaction method for the evaluation of Hamiltonian matrix elements in a basis of linear combinations of spin-adapted functions (1995) (184)
- Ab initio CI study of the stability and electronic spectrum of the HOCl molecule (1977) (159)
- All-valence-electron configuration mixing calculations for the characterization of the 1(π, π*) states of ethylene (1975) (145)
- Non-adiabatic coupling matrix elements for large CI wavefunctions (1980) (139)
- Nonadiabatic treatment of the intensity distribution in the V–N bands of ethylene (1982) (133)
- Comparison of perturbatively corrected energy results from multiple reference double‐excitation configuration‐interaction method calculations with exact full configuration‐interaction benchmark values (1990) (133)
- Calculations on the electronic spectrum of water (1974) (133)
- Calculation of spin-forbidden radiative transitions using correlated wavefunctions: Lifetimes of b1Σ+, a1Δ states in O2, S2 and SO (1984) (129)
- Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low‐Lying States of Formaldehyde (1970) (127)
- Theoretical prediction of the potential curves for the lowest‐lying states of the isovalent diatomics CN+, Si2, SiC, CP+, and SiN+ using the abinitio MRD‐CI method (1980) (127)
- Charge Transfer in Collisions of C+ with H and H+ with C (1998) (116)
- Combining perturbation theory techniques with variational CI calculations to study molecular excited states (1986) (114)
- Ab initio MRD-CI study of ethane: The 14–25 eV PES region and Rydberg states of positive ions (1978) (111)
- CI method for the study of general molecular potentials (1968) (110)
- Ab initiostudy of NO2: Part II: Non-adiabatic coupling between the two lowest2A′ states and the construction of a diabatic representation (1990) (110)
- Theoretical Study of the Geometry and Spectrum of Nitrous Oxide (1968) (106)
- Configuration interaction calculations for the N2 molecule and its three lowest dissociation limits (1977) (104)
- Geometry of Ozone and Azide Ion in Ground and Certain Excited States (1967) (102)
- A new interpretation for the structure of the VN bands of ethylene (1971) (101)
- Geometry of Molecules. I. Wavefunctions for Some Six‐ and Eight‐Electron Polyhydrides (1966) (100)
- Clarification of the assignment of the electronic spectrum of hydrogen chloride based on ab initio cl calculations (1982) (100)
- Combined SCF and CI Calculations for the Low‐Lying Rydberg and Valence Excited States of Ethylene (1971) (99)
- Ab initio study of the mixing of valence and Rydberg states in O2: CI potential curves for the3Σu−,3Δu and3Πu states (1975) (96)
- Ab initio study of the photodissociation of ammonia (1977) (96)
- AB initio vibrational analysis of the Schumann—Runge bands and the neighboring absorption region of molecular oxygen (1976) (96)
- ab initio Study on the Stability and Geometry of Cyclobutadiene (1968) (92)
- Calculation of the electronic spectrum of formaldehyde (1971) (92)
- An ab initio study of the CH3I photodissociation. I. Potential energy surfaces. (2007) (89)
- Ab Initio SCF MO and CI Studies of the Electronic States of Butadiene (1968) (89)
- Ab Initio SCF MO and CI Calculations on the Electronic Spectrum of Benzene (1968) (89)
- Non-empirical calculations on the electronic spectrum of butadiene (1972) (88)
- Theoretical prediction of the potential curves for the lowest‐lying states of the CSi+ and Si2+ molecular ions (1981) (87)
- Geometry of Molecules. III. F2O, Li2O, FOH, LiOH (1966) (83)
- Calculation of the electron affinity and 1A1-3B1T0 value of methylene using the ab initio MRD CI method for a large AO basis (1978) (82)
- All-valence-electron CI treatment of the electronic spectrum of trans-butadiene (1976) (82)
- Potential energy and dipole moment surfaces for simultaneous torsion and pyramidalization of ethylene in its lowest‐lying singlet excited states: A CI study of the sudden polarization effect (1980) (79)
- Theoretical study of the U.V. spectrum of acetylene (1984) (77)
- Comparison of the molecular structure and spectra of benzene and borazine (1970) (77)
- The Ballik-Ramsay, Mulliken, Deslandres-d'Azambuja and Phillips systems in C2: a theoretical study of their electronic transition moments (1983) (77)
- Ab initio SCF calculations for azulene and naphthalene (1969) (77)
- Relativistic integrals over Breit–Pauli operators using general Cartesian Gaussian functions. I. One‐electron interactions (1983) (76)
- Ab initio MRD-CI potential surfaces for the low-lying states of the NH+2 molecular ion (1979) (72)
- Ab initio calculations on the electronic spectrum of ethane (1975) (72)
- Calculated potential surfaces for the description of the emission spectrum of the C2H radical (1979) (71)
- Bound states of positron with urea and acetone molecules using configuration interaction ab initio molecular orbital approach (2003) (70)
- Theoretical investigation of the cyclic conformer of ozone (1974) (69)
- Ab initio investigation of the HCO+ and COH+ molecule-ions: Structure and potential surfaces for dissociation in ground and excited states (1975) (69)
- Use of the Z+1-core analogy model: examples from the core-excitation spectra of CO2 and N2O (1976) (68)
- Matrix representation of the relativistic kinetic energy operator: two-component variational procedure for the treatment of many-electron atoms and molecules (1984) (68)
- Ab initio investigation of the vibronic structure of the C2H spectrum (1990) (68)
- Spin–orbit configuration interaction study of the potential energy curves and radiative lifetimes of the low‐lying states of bismuth hydride (1994) (67)
- Theoretical study of the vertical electronic spectrum of O2: Mixing of valence and Rydberg states (1975) (67)
- Configuration interaction calculations for the ground and excited states of ozone and its positive ion: Energy locations and transition probabilities (1978) (66)
- Ab initio study of NO2. V. Nonadiabatic vibronic states and levels of the X̃ 2A1/Ã 2B2 conical intersection (1996) (66)
- Ab initio CI calculation of O2 + predissociation phenomena induced by a spin-orbit coupling mechanism (1982) (66)
- Theoretical Analysis of the Effects of Hydrogenation in Hydrocarbons: Accurate SCF MO Wavefunctions for C2H2, C2H4, and C2H6 (1967) (65)
- Diabatic representation of the A1[Btilde]B2 conical intersection in NH2 (1990) (64)
- Ab initio configuration interaction calculations for the electronic spectrum of hydrogen sulfide (1976) (64)
- Non-empirical CI potential curves for the ground and excited states of PH and its positive ion (1981) (64)
- Ab initio study of the structure, isomers and vertical electronic spectrum of the formyl radical HCO (1976) (63)
- Vibrational analysis of the electronic spectrum of ethylene based onab initio SCF-CI calculations (1972) (63)
- Ab initiostudy of NO2: Part III. Potential energy functions for the two lowest2A′ states in both the diabatic and adiabatic representations (1991) (62)
- Theoretical study of the core-ionized and various core-excited and shake-up states of acetylene and ethylene by ab initio MRD-CI methods (1980) (61)
- Non-empirical SCF and Cl Study of the ground and excited states of thioformaldehyde (1974) (60)
- Toward the variational treatment of spin‐orbit and other relativistic effects for heavy atoms and molecules (1986) (60)
- Theoretical prediction of the vertical electronic spectrum of the C2H radical (1977) (58)
- Configuration interaction calculation of the potential curves for the C3 molecule in its ground and lowest-lying Πu states (1977) (58)
- Ab initio study of the hydrogen bond in [H3N-H...NH3]+ (1972) (58)
- An ab initio study of the CH3I photodissociation. II. Transition moments and vibrational state control of the I* quantum yields. (2007) (58)
- All-electron CI calculations for core-ionized, core-valence excited and shake-up states of N2 (1977) (58)
- Positron binding energies for alkali hydrides. (2005) (58)
- Ab initio calculation of the X2Σ+u state of He+2 and adjustment governed by translational spectroscopic measurements (1976) (58)
- Theoretical Study of the Rotational Barriers of Allene, Ethylene, and Related Systems (1968) (58)
- Use of the vibronic CI method in accurate calculations of the Renner-Teller effect (1983) (57)
- Mixed valence—Rydberg states (1975) (57)
- AB Initio Calculations Close to the Full CI Level of Accuracy and their Use for the Interpretation of Molecular Spectra (1983) (56)
- Ab initio treatment of the Renner-Teller effect and application to various AH2 and HAB molecules (1985) (56)
- Ab initio treatment of the Renner-Teller effect for the X 2 B 1 and A 2 A 1 electronic states of NH2 (1981) (55)
- Comparison of spin-orbit configuration interaction methods employing relativistic effective core potentials for the calculation of zero-field splittings of heavy atoms with a 2Po ground state (1998) (55)
- Theoretical Comparison of Formic Acid and the Formate Ion (1969) (54)
- On the ultraviolet photofragmentation of hydrogen iodide (2000) (54)
- MRD-CI calculations on the potential energy curves of the ground and excited electronic states of the noble-gas hydrides, HeH, NeH and ArH (1984) (54)
- Analysis and predictions of the vibronic spectrum of the ethynyl radical C2H by ab initio methods (1992) (53)
- Calculation of wavefunctions and frequencies for noninfinitesimal vibrations: Comparison of various methods using ab initio CI potential curves (1979) (53)
- Nonorthonormal CI for molecular excited states. I. The sudden polarization effect in 90° twisted ethylene (1984) (52)
- Ab initio SCF and CI [configuration interaction] study of the electrocyclic transformations of cyclopropyl and allyl systems (1974) (51)
- Abinitio MRD-CI study of NO2. 1. Multi-dimensional potential surfaces for the two lowest 2A′ states (1985) (51)
- MRD-CI calculations for the structure and stability of the hsin-hnsi isomers (1978) (51)
- Ab initio study of the isomerization HNC → HCN. I. Ab initio calculation of the HNC ⇌ HCN potential surface and the corresponding energy levels (1983) (50)
- MRD CI calculations on the asymmetric stretch potentials of H2O in the ground and the first seven singlet excited states (1985) (50)
- Bound states of the positron with nitrile species with a configuration interaction multi-component molecular orbital approach. (2011) (49)
- Theoretical study of the X2B1, A2A1, 2B2 valence-shell and the first πu23s-type doublet and quartet Rydberg states of NH2 (1979) (49)
- An MRD-CI study of the vertical 1(π,π*) VN transition of ethylene using an AO basis with optimized Rydderg ndπ species and two se (1979) (49)
- Comparison of various CI treatments for the description of potential curves for the lowest three states of O2 (1972) (48)
- Ab initio relativistic configuration interaction calculations of the spectrum of bismuth oxide: Potential curves and transition probabilities (1994) (48)
- Non-empirical calculations on the rydberg states of ethylene (1974) (48)
- Potential energy surfaces for the photodissociation H2O→O(1Dg + H2(X1Σ+g) (1982) (47)
- Ab initio Cl calculation of the effects of Rydberg-valence mixing in the electronic spectrum of the HF molecule (1982) (47)
- Positron binding to alkali-metal hydrides: The role of molecular vibrations (2006) (47)
- Bending potentials for H2O in the ground and the first six singlet excited states (1984) (47)
- A theoretical study of the bound electronic states of the C−2 negative ion (1979) (46)
- Ab initio MRD CI calculations for the electron spectrum of the C3 radical (1978) (46)
- An SCF and MRD-CI study of the ground and excited states of the He + H2 system. I. Calculated potential surfaces (1978) (46)
- Stability and structure of the C2H6 + ion: investigation of the photoelectron spectrum of ethane below 14 eV using ab initio methods (1977) (45)
- Configuration interaction study of the three lowest electronic states in the formyl and acetyl radicals (1982) (45)
- Theoretical dipole transition moments for the transitions to the ground state X2σ+ from the A2σ+, B2Π, C2σ+, D2σ+ and E2Π states and for the B 2?A 2:+ system in HeH (1987) (45)
- Geometry of Molecules. II. Diborane and Ethane (1966) (44)
- Investigation of negative ion states in HCl and HF by configuration interaction methods (1983) (44)
- Theoretical study of the geometry, reactivity, and spectrum of cyclopropane (1969) (44)
- Ab initio MRD-CI study of the electronic spectrum of SiH (1983) (44)
- AB initio calculation of the zero-field splittings of the X3Σg− and B3Πg,i states of the S2 molecule (1982) (43)
- Comparison of cartesian and lobe function Gaussian basis sets (1970) (42)
- A theoretical study of the absorption spectrum of singlet CH 2 (2000) (42)
- Theoretical determination of the reaction path in the prototype electrocyclic transformation between cyclobutene and cis-butadiene. Thermochemical process (1971) (42)
- Theoretical study of the electronic spectrum of diimide by AB initio methods (1975) (42)
- Ab initio CI study of the electronic spectrum of acetone (1976) (41)
- Potential energy curves and transition moments for the low-lying electronic states of the Si2 molecule (1982) (41)
- Ab initio SCF and CI study of the ground and first excited state of the HSO radical (1977) (40)
- Calculation of the vertical electronic spectrum of the nitrogen molecule using the mrd-ci method (1978) (40)
- Theoretical study of the electronic spectrum of HNO using SCF and CI calculations (1975) (40)
- Photolysis of methanol at 185 nm: quantum mechanical calculations and product study (1984) (40)
- Nonadiabatic investigation of the V–N spectrum of ethylene in a new diabatic representation (1983) (39)
- Study of Linear Stretch in Polyatomic Molecules: Accurate SCF MO Wavefunctions for CO2 and BeF2 (1967) (39)
- Theoretical study of the energies and lifetimes of the low-lying states of bismuth fluoride (1993) (38)
- Adiabatic calculations of the 2Σ+g excited states of He+2 (1987) (37)
- Ab initio study of NO2 (1994) (37)
- Ab initio calculation of the potential surfaces for low-lying valence electronic states of the C2H radical (1989) (36)
- Coupled diabatic configuration interaction treatment of the O2B’–X transition including computation of predissociation linewidths, optical f values, and generalized oscillator strengths (1992) (36)
- Abinitio calculation of the vibrational structure in the electronic spectra of HCN and DCN between 1700 and 2000 Å (1977) (36)
- Comparison of perturbatively corrected MRD CI results with a full CI treatment of the BH ground state (1983) (36)
- Theoretical dipole transition moments for transitions between bound electronic states and non-adiabatic coupling matrix elements between 2Σ+ of HeH (1987) (36)
- Ab initio study of the locations and intensities of the lowest‐lying electronic transitions of the C3 and C2O molecules (1986) (36)
- The effect of bond functions on molecular dissociation energies (1984) (36)
- Study of the Geometry and Spectra of the Allylic Systems by Ab Initio Methods (1969) (35)
- Theoretical study of the properties of BC and its positive ion in their ground and excited electronic states (1987) (35)
- A Series of Electronic Spectral Calculations Using Nonempirical CL Techniques (1975) (35)
- SPIN–ORBIT MULTIREFERENCE CONFIGURATION INTERACTION METHOD AND APPLICATIONS TO SYSTEMS CONTAINING HEAVY ATOMS (2004) (35)
- A theoretical study of the lowest 2 B 1, 2 A 1 and 2 B 2 electronic states in H2S+ and a comparison with corresponding states in related systems (1980) (35)
- Spin–orbit effects in photodissociation of sodium iodide (2000) (34)
- Further Study of Umbrella vs Bridged Geometries: SCF–MO and CI Calculations for C2H6++ and Ammonia Borane (1968) (34)
- Role of the electric dipole moment in positron binding to the ground and excited states of the BeO molecule. (2007) (34)
- Ab initio study of the HN2+ molecule ion and its dissociation products in ground and excited states (1974) (34)
- Theoretical dipole derivatives for HCN and DCN (1981) (34)
- Investigation of electron correlation on the theoretical prediction of zero-field splittings of 2Π molecular states (1982) (34)
- Complex self-consistent field and multireference single- and double-excitation configuration interaction calculations for the 2Pi(g) resonance state of N2-. (2006) (34)
- GRECP/MRD‐CI calculations of spin‐orbit splitting in ground state of Tl and of spectroscopic properties of TlH (2000) (33)
- Ab initio SCF and CI calculations for ground and low-lying valence and Rydberg excited states of HOCl and HClO in linear and bent nuclear conformations (1979) (33)
- Theoretical study of the electronic transition moment for the d 3IIga 3IIu band system of the C2 molecule (1978) (33)
- THE CONFIGURATION-DRIVEN APPROACH FOR MULTIREFERENCE CONFIGURATION INTERACTION CALCULATIONS (1999) (32)
- Ab initio studies on the oscillator strength of the spin-forbidden transition in Cl2 (1984) (32)
- Potential curves for dissociative electron attachment of CFCl3 (1979) (31)
- The X̃ 1A1 → Ã 1B1 transition moment of H2O using state‐specific configuration‐interaction wave functions (1985) (31)
- MRD CI study of the photodissociation of HO2 into OH(X2II) + O(3P, 1D) (1985) (31)
- Non-empirical SCF and CI study of the SOH radical (1977) (31)
- USE OF CONFIGURATION SELECTION METHODS TO STUDY THE SUDDEN POLARIZATION EFFECT (1979) (30)
- Study of the dependence of spin-orbit matrix elements on AO basis set composition for inner and valence shells: Results for the multiplet splitting of X 3Σ− and C 3Π of SO and X 2Π in SO+ (1983) (30)
- Theoretical study of the electronic structure of carbon dioxide: Bending potential curves and generalized oscillator strengths (2000) (30)
- Ab initio SCF and CI study of the HCS+-CSH+ system: Potential surfaces for hydrogen abstraction and internuclear bending For ground and excited states and vertical spectrum for HCS+ (1978) (30)
- An ab initio study of the rotation—vibration energy levels of GeH2 in the ā3B1 state (1984) (29)
- Theoretical study of the U.V. spectrum of acetylene: III.Ab initioinvestigation of the valence-type singlet electronic states (1987) (29)
- Theoretical comparison of tetrahedrane and cyclobutadiene by Ab initio techniques (1969) (29)
- Theoretical study of the geometry and spectrum of the HS2 radical (1977) (29)
- Charge-transfer processes in collisions of slow H + ions with hydrocarbon molecules: CH 4 , C 2 H 2 , C 2 H 6 , and C 3 H 8 (2000) (28)
- Charge-transfer processes in collisions of H + ions with H 2 , D 2 , CO, and CO 2 molecules in the energy range 0.2–4.0 keV (2000) (28)
- Ab Initio MRD‐CI Calculations for HAB Molecules I. Isomerization Energies for HOS, HNP and HCSi and Their Positive Ions (1980) (27)
- Ab initio configuration interaction study of the X3ϵ−, a1Δ and b1ϵ+ states of so and S2 (1981) (27)
- A configuration interaction study of the oscillator strengths for various low-lying transitions of the CO molecule (1992) (27)
- Ab initio configuration interaction study of the B- and C-band photodissociation of methyl iodide. (2011) (27)
- Theoretical study of the electronic transition moments for the d3Πg-a3Πu (SWAN) and e3Πg-a3Πu (Fox-Herzberg) bands in C2 (1981) (27)
- MRD-CI calculations for the vertical electronic spectrum of the hydroperoxyl radical (1978) (27)
- MRD‐CI potential surfaces using balanced basis sets. III. HCl and N2 (1984) (27)
- All-valence-electron CI study of the ground and lowest excited states of the hydroperoxyl radical (1976) (27)
- Ab initio investigation of the vibronic structure in the C2H spectrum : calculation of vibronic energies and wavefunctions for various isotopomers (1991) (27)
- Relativistic configuration interaction study of the ClF molecule and its emission spectra from 0+ ion-pair states (2000) (27)
- Electronic structures of the S2O and S3 isomers: an ab initio CI study (1988) (26)
- Theoretical studies on excited states of Ne2. I. MRD‐CI potential energy curves (1985) (26)
- A study of the convergence in iterative natural orbital procedures (1977) (26)
- Ab initio configuration interaction calculations of the predissociation of rovibrational levels of the C 3Πg and d 1Πg 3sσ Rydberg states of the oxygen molecule (1997) (25)
- Ab initio MRD-CI study of the rydberg states of methylene (1981) (25)
- Ab initio study of the HNC → HCN isomerization. II. Calculation of the isomerization rate constant (1984) (25)
- Factors involved in the accurate calculation of oscillator strengths: the A1B1-X1A1 transition of H2O (1987) (25)
- Theoretical studies of the electronic spectrum of thioformaldehyde (1982) (25)
- Development of a Computational Strategy in Electronic Structure Calculations: Error Analysis in Configuration Interaction Treatments (1981) (25)
- Theoretical study of the vibrational structure of the 1(n,π*) transition in diimide: potential curves and Franck–Condon analysis (1977) (25)
- Theoretical study of the vertical electronic spectrum of NO2 (1977) (25)
- Role of ring torsion in the electrocyclic transformation between cyclobutene and butadiene. Theoretical study (1972) (25)
- Bound states of positron with simple carbonyl and aldehyde species with configuration interaction multi-component molecular orbital and local vibrational approaches (2012) (25)
- Configuration interaction studies of low‐lying valence and Rydberg states of NS (1985) (24)
- Electronic states and radiative transitions in LiAr (1994) (24)
- Nonempirical calculations of the reaction surface for the addition of the amino radical to ethylene (1972) (24)
- The Global Positioning System and the Lorentz Transformation (2008) (24)
- Spin−Orbit Configuration Interaction Calculation of the Potential Energy Curves of Iodine Oxide (2000) (24)
- USE OF GAUSS-HERMITE QUADRATURE IN THE TREATMENT OF PREDISSOCIATION RESONANCES WITH THE COMPLEX-SCALING METHOD (1997) (24)
- Ab initio scf and CI study of the ground and excited states of the HN2 radical (1975) (23)
- Electron capture in collisions of with H and with C (1998) (23)
- Ab initio study of spectroscopic and radiative characteristics of ion-pair states of the Cl2 molecule (2001) (23)
- Isotope effect in charge-transfer collisions of slow H+ and D+ ions with H2, HD, and D2 molecules (2004) (23)
- Multireference configuration interaction study of the mixed Valence–Rydberg character of the C2H4 1(π,π*) V state (1997) (23)
- Theoretical investigation of the excited states of NeH: calculations of dipole transition moments and radial coupling matrix elements (1987) (23)
- Low-lying electronic states of CSi- and electron affinity of CSi according to ab initio MRD-CI calculations (1983) (23)
- Ab initio CI study of the vibrational structure of the 1 1Σ− (1 1 A″)←X and 1 1Δ (2 1 A′, 2 1 A″)←X electronic transitions in HCN and DCN (1988) (22)
- Theoretical study of the UV photodissociation of Cl2: potentials, transition moments, extinction coefficients, and Cl*/Cl branching ratio. (2004) (22)
- Avoided crossings in potential curves of BF2+: A study of models for bonding in diatomic dications (1995) (22)
- Trends in adsorption of open-shell atoms and small molecular fragments on the Ag(1 1 1) surface (2006) (22)
- Ab initio configuration interaction study of the A2A1–2B1 transition of PH2 and PD2 (1979) (21)
- Potential surfaces for valence-type singlet electronic states of the HCN molecule (1987) (21)
- DISSOCIATION OF MOLECULAR CHLORINE IN A COULOMB EXPLOSION : POTENTIAL CURVES, BOUND STATES, AND DEVIATION FROM COULOMBIC BEHAVIOR FOR CL2N+ (N = 2,3,4 ,6,8,10) (1999) (21)
- Ab initio quantum mechanical investigation of the photodissociation of HI and DI (2001) (21)
- Potential surfaces and vibronic coupling for the conical intersection of the Ã2A1 and B̃2B2 states of NH2 (1985) (21)
- An SCF and MRD-CI study of the ground and excited states of the He + H2 system. II. Quenching of HD (1Σ+u) fluorescence and other energy transfer processes (1979) (21)
- Experimental and Theoretical Study of the Electronic States and Spectra of TeH and TeLi. (2001) (20)
- Ab initio calculation of the ground state and the first excited state system of Br including spin-orbit coupling and relativistic correction to the kinetic energy operator (1984) (20)
- Relativistic configuration interaction study of the low‐lying electronic states of Bi2 (1995) (20)
- Theoretical study of the generalized oscillator strength for the A 1B1-X 1A1 transition in the water molecule (1989) (20)
- Electron capture in collisions of protons with CO molecules in the keV region: The steric effect (2000) (20)
- Comparison of the structure and spectra of the HNO+ and NOH+ ions using ab initio SCF and CI methods (1977) (20)
- Ab initio MRD-CI calculation of the electron affinities of Si and SiH: study of three stable states of the respective negative ions (1983) (19)
- Configuration interaction calculations of the vertical electronic spectrum of silane (1993) (19)
- Approaching the full CI limit with MRD CI calculations: The X 1A1 state of water with a double-zeta basis (1984) (19)
- Time Dilation and the Concept of an Objective Rest System (2010) (19)
- An ab initio calculation of the rotational-vibrational energies in the electronic ground state of NH2 (1990) (19)
- Calculation of the vertical electronic spectrum of propane (1978) (19)
- Laser stimulation of low-temperature dissociative recombination of electrons and oxygen molecular ions (2009) (19)
- Relativistic configuration interaction calculations of potential curves and radiative transition probabilities for the antimony fluoride molecule (1993) (18)
- Configuration interaction study of the electronic spectrum of furan (1980) (18)
- Absolute differential cross sections for electron impact excitation of the 10.8-11.5 eV energy-loss states Of CO2 (2002) (18)
- Use of trigonometric series for solution of the Schrödinger equation for bending vibrations in triatomic molecules (1986) (18)
- Theoretical calculations of the Rydberg spectra of ArH (1990) (18)
- Theoretical Investigation of Charge Transfer between N6+ and atomic Hydrogen (2011) (18)
- The formation of SiH+, PH+, and SH+ by radiative association (2000) (17)
- Ab initio CI calculation of the band structure in the A2B1–X2A1 electronic transition of BH2 (1981) (17)
- Theoretical study of cyclopropene and its C3H4 isomers (1969) (17)
- Comment on the role of configuration selection methods in describing the V state of ethylene (1978) (17)
- Complex multireference configuration interaction calculations employing a coupled diabatic representation for the 2Pi(g) resonance states of N2(-). (2009) (17)
- Theoretical treatment of predissociation in the A 2Σ+, B 2Π, and C 2Σ+ states of HeH (1990) (17)
- Observation of significant differences in charge transfer between collisions of H+ ions with H2 and with D2 molecules in the high-eV to low-keV range (2003) (17)
- Time-dependent quantum mechanical study of photodissociation of molecular oxygen in the Schumann–Runge continuum (2000) (17)
- A comparison of the ethylene ionization potentials obtained by the Green's function method and from CI calculations (1978) (17)
- Theoretical prediction of the electronic spectrum of thioacetone and comparison with related systems (1977) (17)
- Accurate small split-valence 3-21SP and 4-22SP basis sets for the first-row atoms (1996) (17)
- The spectrum of antimony hydride: An ab initio configuration interaction study employing a relativistic effective core potential (1998) (17)
- Analysis of qualitative theories for electrocyclic transformations based on the results of ab initio self-consistent-field and configuration-interaction calculations (1971) (17)
- Structure and stability of the HFF and FHF radicals (1977) (17)
- Theoretical study of the electronic spectrum of ammonia : generalized oscillator strength calculations for the A-X transition (1991) (16)
- Theoretical study of the electronically excited states of the HNSi molecule (1979) (16)
- Theoretical study on the Rydberg states of NeH: Ab initio quantum defect and complex coordinate calculations (1998) (16)
- Nearly diabatic states by maximization of the non-orthonormal overlap between model-diabatic and MRD-CI wavefunctions (1991) (16)
- The electronic structure of HO2 (1986) (16)
- Ab initio CI study of the electronic spectrum of the interstellar free radical CP (1994) (16)
- All-valence-electron Cl calculations on the electronic spectrum of diborane (1975) (16)
- Dissociative recombination e− + O2+ → O(1D) + O(3P) in a strong laser field (2003) (16)
- Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi2(2-) anion in (K-crypt)2Bi2 on the basis of relativistic electronic structure calculations. (2005) (16)
- Theoretical study of the optical and generalized oscillator strengths for transitions between low-lying electronic states of the BF molecule (1993) (16)
- Potential energy curves and dipole transition moments for electronic states of ArHe and HeNe (2001) (15)
- Electronic structure of the SiP+ radical on the basis of ab initio MRD-CI calculations (1984) (15)
- Geometry relaxation effects for molecules as a result of binding with a positron. (2004) (15)
- Electronic states and transitions of bismuth sulfide (1999) (15)
- Ab initio spin-orbit CI calculations of the potential curves and radiative lifetimes of low-lying states of lead monofluoride (2002) (15)
- Ab initio MRD-CI study of the Renner-Teller effect and spin-orbit coupling in the X 2π ground state of NCO (1986) (15)
- Insight into the Rydberg states of CH. (2007) (15)
- Large atomic orbital basis SCF and MRD-CI calculations for rearrangements of the PH5 molecule (1979) (15)
- Ab initio potential surface for ozone decomposition (1980) (15)
- Thermodynamically stable diatomic dications: potential curves and radiative lifetimes for CaCl2+ including relativistic effects (1997) (15)
- Theoretical study of the ArH+ photodissociation. (2007) (15)
- Ab initio study of the electronic spectrum of the PO2 radical (1996) (14)
- Experimental and theoretical study of the electronic states and spectra of PbLi (2003) (14)
- HI photofragmentation revisited. Comment on "Probing excited electronic states using vibrationally mediated photolysis: Application to hydrogen iodide". (2005) (14)
- Simultaneity and the Constancy of the Speed of Light: Normalization of Space-time Vectors in the Lorentz Transformation (2009) (14)
- Configuration interaction study of the oscillator strenghts for the B1A1X1A1 and D1A1X1A1 transitions of the water molecule (1985) (14)
- Spin-orbit configuration interaction study of the electronic spectrum of antimony iodide (1995) (14)
- Gravitational and Kinetic Scaling of Physical Units (2008) (14)
- On the nature of the reaction path from the 2B2 stationary point to the [Xtilde]2A1 minimum on the lowest 2A′ potential energy surface of NO2 (1992) (14)
- AB INITIO CONFIGURATION INTERACTION STUDY OF THE ELECTRONIC SPECTRUM OF SIH (1995) (13)
- Ab initio study of the Renner-Teller effect in 1Δg state of CH2 (1984) (13)
- Ab initio CI study of the electronic spectrum of bismuth iodide employing relativistic effective core potentials (1995) (13)
- Radiative charge transfer and radiative association in He + + Ne collisions (2010) (13)
- Laser control of low-temperature reaction e− + O2+ (2011) (13)
- Calculation of the vertical electron attachment energy of carbon dioxide: Continuum states for negative ions (1976) (13)
- Final-state-resolved charge exchange in C5 + collisions with H (2012) (13)
- Multireference CI study of the potential curves and properties of positronic complexes of alkali hydrides (2006) (13)
- The Photodissociation of SiH+ in Interstellar Clouds and Stellar Atmospheres (1997) (13)
- Rate Coefficients for Charge Transfer of He + with C (1993) (13)
- MRD-CI calculations for the low-lying electronic states of scandiumhydride and titaniumhydride (1983) (13)
- The relative stability of 2Σ+ and 2π states in the systems CSi−, Si2−, SiP and P2+ as predicted in MRD-CI calculations (1983) (13)
- Theoretical integrated intensities for the 2ν2 and 2ν2-ν2 bands of HCN and DCN (1982) (13)
- Use of relativistic core potentials to compute potential curves and lifetimes of low-lying states of arsenic fluoride (1993) (13)
- The Relativity Principle and the Kinetic Scaling of the Units of Energy, Time and Length (2018) (13)
- Bond functions in molecular excited states: MRD CI calculations for the A3Σ+u, B3Πg and W3Δu states of N2 (1987) (13)
- An abinitio study of the A2A′—X2A″ vibronic transition in the free radical HNF (1983) (13)
- Complex coordinate calculations on autoionizing states of HeH and H2 (1999) (12)
- Non-orthonormal basis calculations of the dipole transition moment for the phillips system (A 1Πu → X 1Σ+g) in C2. Theoretical lifetime of the A 1Πu state (1987) (12)
- Theoretical investigation of total and state-dependent charge exchange in O6 + collisions with atomic hydrogen (2012) (12)
- Non‐orthonormal CI for molecular excited states. II. The zwitterionic states of terminally twisted butadiene (1984) (12)
- Ab initio configuration interaction study of the predissociation of the (4s),(4pσ) 1,3Π, and (4pπ) 3Σ+ Rydberg states of HCl and DCl (2000) (12)
- THEORETICAL STUDY OF THE ELECTRONIC SPECTRUM OF ANTIMONY OXIDE EMPLOYING RELATIVISTIC EFFECTIVE CORE POTENTIALS (1995) (12)
- Theoretical study of the transition probabilities among the three lowest electronic states of the SeS molecule (1988) (12)
- Spin–orbit configuration interaction study of potential energy curves and transition probabilities of the mercury hydride molecule and tests of relativistic effective core potentials for Hg, Hg+, and Hg2+ (1996) (12)
- Calculation of Vibrational Wavefunctions and Energies Using MRD-CI Techniques (1978) (12)
- Radiative charge transfer in Ne2+ + He collisions (2006) (11)
- AB initio MRD CI potential curves, dipole moments and zero-field splittings for the X2Π ground states of the CF and CCl molecules (1986) (11)
- Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrH (2003) (11)
- Ab Initio Calculations for Excited States of Molecules (1974) (11)
- Vibronic transition moments and line intensities for H2O (2004) (11)
- Remarks on the signs of g factors in atomic and molecular Zeeman spectroscopy (2000) (11)
- Inelastic processes in collisions of H + ions with C, N, O, and Si atoms below 1 keV (1997) (11)
- Configuration interaction calculations of positron binding to molecular oxides and hydrides and its effect on spectroscopic constants (2008) (11)
- Theoretical calculations on the linewidths of rovibrational levels of the 3d Rydberg states of BeH and BeD (1999) (11)
- Theoretical study of the vibronic structure of the 1 1Π ← X 1Σ+ electronic transition in HCN and DCN (1987) (11)
- Charge transfer and electronic excitation in collisions of protons with water molecules below 10 keV (2007) (11)
- Ab initio study of the molecular geometry and properties of nitrosyl fluoride (1967) (11)
- THE CLOCK PUZZLE AND THE INCOMPATIBILITY OF PROPORTIONAL TIME DILATION AND REMOTE NON-SIMULTANEITY (2018) (11)
- A simple theoretical approach of charge transfer processes in collisions of atomic ions with polar targets (2008) (11)
- Charge transfer in collisions of C 2+ ions with H atoms at low-keV energies: A possible bound state of CH 2+ (1998) (10)
- On the numerical solution of the multidimensional vibrational time‐independent Schroedinger equation (1992) (10)
- GRECP/5e-MRD-CI calculation of the electronic structure of PbH (2001) (10)
- Ab initio calculations for dipole-forbidden transitions in NBr: Radiative lifetimes of the b 1Σ+ and a 1Δ states (1989) (10)
- Calculation of predissociation resonances for the A 2 Sigma + state of HeH with the complex coordinate method in a diabatic Hamiltonian representation (1992) (10)
- Oscillator strengths for Rydberg states in ArH calculated in QDT approximation (2003) (10)
- The Near Ultraviolet Band System of Singlet Methylene. (2001) (10)
- Theoretical treatment of predissociation of the (4pσ) 1,3Πu rovibrational levels in the spectrum of the oxygen molecule (1998) (10)
- Comparison between isoelectronic transition metal hydrides. MRD-CI results for ScH+ and TiH+ (1984) (9)
- Some elastic moduli of bisphenol A polycarbonate (1964) (9)
- Refined potential-energy surfaces for the 2A" and à 2A' electronic states of the HO2 molecule (2001) (9)
- LONG-LIVED DIATOMIC DICATIONS : POTENTIAL CURVES AND RADIATIVE LIFETIMES FOR CABR2+ AND CAI2+ INCLUDING RELATIVISTIC EFFECTS (1997) (9)
- Electron capture and target excitation in collisions of Bq+ and Beq+ ions with H and He atoms at energies below 10 keV/u (1996) (9)
- Non-adiabatic interactions between the C 2Σ+ and D 2Σ+ electronic states of HeH (1988) (9)
- Ab initio study of the low-lying states of SnH (1996) (9)
- MRD-CI Method for the Study of Low-Lying Electronic States. Application to Second-Row Molecular Ions of Type AH2+, AH+, AB+, and HAB+ (1983) (9)
- Relativity Laws for the Variation of Rates of Clocks Moving in Free Space and GPS Positioning Errors Caused by Space-Weather Events (2013) (9)
- An ab initio study of the CH 3 I photodissociation . I . Potential energy surfaces (2007) (8)
- Theoretical study of line broadening in the (3sσ) 3Πg vibrational levels of the O2 molecule employing a diabatic CI representation (1993) (8)
- Electronic Spectrum of Tin Oxide: MRDCI Study (2002) (8)
- Ab initio potential curves, dipole moments, and transition probabilities for the low‐lying states of arsenic oxide (1995) (8)
- Charge transfer for the ground state O+(4S) ion in collisions with H2 molecules (2003) (8)
- Ab initio CI study of the coupling of small vibrations in the ground and 1B g (n, Π*) excited states of N2H2 (1978) (8)
- Branching ratios for secondary processes of water ions induced by proton beams in radiation therapy of cancer (2004) (8)
- Use of complex configuration interaction calculations and the stationary principle for the description of metastable electronic states of HCl(-). (2010) (8)
- GPS-compatible Lorentz transformation that satisfies the Relativity Principle (2015) (8)
- Ab initio many-electron study for the low-lying states of the alkali hydride cations in the adiabatic representation. (2012) (8)
- Electric dipole transition moments between the 2Σ+u and 2Σ+g states of the He+2 ion (1992) (8)
- Ab initio configuration interaction calculations of the potential curves and lifetimes of the low‐lying electronic states of the lead dimer (1996) (8)
- Ab initio CI calculation of the generalized oscillator strength for four transitions of the CO molecule (1992) (8)
- Ab initio study of one- and two-electron transfer processes in collisions of Ne 2 + with He at low to intermediate energies (2003) (8)
- Accurate atomic Gaussian basis functions for second‐row atoms: Small split‐valence 3‐21SP and 4‐22SP basis sets (1997) (8)
- Scattering angle dependence of electron impact excitation: Intensity variation within a vibrational progression (1995) (8)
- Single- and double-electron-capture processes in the collisions of C4+ ions with He (2013) (8)
- Radiative charge transfer in collisions of H + with Na at very low energies (2009) (7)
- Theoretical study of the low-energy BiN spectrum (1996) (7)
- Expressing the Units of Electricity and Magnetism Directly in the MKS System (2014) (7)
- Ab initio spin-orbit configuration interaction calculations for high-lying states of the HeNe quasimolecule. (2007) (7)
- Ab initio MRD-CI study of the Renner-Teller effect and spin-orbit coupling in the X2Pi (1988) (7)
- Theoretical calculation of the potential surfaces and vibrational frequencies of the A 2Σ+ and X 2Π electronic states of the NCO radical (1993) (7)
- Charge transfer and association of Na + with 87 Rb atoms from extremely low to intermediate energies (2013) (7)
- Complex configuration interaction calculations of the cross section for the dissociative electron attachment process e− + F2 → F 2− → F + F− using the complex basis function method (2012) (7)
- Charge transfer between O + ions and helium (2005) (7)
- Photodissociation of CH3Cl, C2H5Cl, and C6H5Cl on the Ag(111) surface: ab initio embedded cluster and configuration interaction study. (2010) (7)
- Potential curves and nonadiabatic matrix elements for collisions involving fragments of the HeN+ molecular ion (1995) (7)
- Ab initio MRD-CI study of the spectrum of the TeO molecule employing relativistic effective core potentials. (2006) (7)
- Use of exchange maximization to generate starting vectors for self‐consistent field calculations on metal cluster/adsorbate systems (2002) (7)
- Predissociation widths and lifetimes of the states of BeH and BeD (1997) (7)
- On the independence of nonadiabatic coupling elements on the choice of origin of the coordinate system (2000) (7)
- Relativistic Configuration Interaction Study of the Electronic Spectrum of Thallium Chloride (1994) (7)
- Complex multireference configuration interaction calculations for the K-vacancy Auger states of N(q+) (q = 2-5) ions. (2016) (7)
- Theoretical treatment of predissociation of the CO (3sσ) B and (3pσ) C1Σ+ Rydberg states based on a rigorous adiabatic representation (1998) (6)
- LOW-ENERGY SPECTRUM OF THE THERMODYNAMICALLY STABLE BAI2+ DICATION (1999) (6)
- Electron capture in collisions of S with H{sup +} (2005) (6)
- Theoretical study of the CH2 + O photodissociation of formaldehyde adsorbed on the Ag(111) surface. (2005) (6)
- Reply to the Comments of Jan Almlöf, Knut Faegri, and Hans H. Grelland and Alfredo Simas and Vedene H. Smith, Jr. (1984) (6)
- Multireference singles and doubles configuration interaction study of the photoelectron spectrum of HO - 2 (1989) (6)
- The Wuppertal multireference configuration interaction (MRD-CI) program system (2014) (6)
- Nonadiabatic effects in the lowest 0+(3P) ion-pair states of CIF (2001) (6)
- Ab initio study of the KrH+ photodissociation. (2008) (6)
- Inelastic processes in collisions of Na(3s,3p) with He at thermal energies (2008) (6)
- Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNe (2002) (6)
- Accurate atomic Gaussian basis functions for first-row atoms. Part 1. Contracted basis sets derived from 9s5p primitives (1996) (6)
- Electronic states and transitions of tellurium fluoride (2001) (6)
- Excited electronic states of CO adsorbed on platinum (2001) (6)
- Huygens ’ Principle and Computation of the Light Trajectory Responsible for the Gravitational Displacement of Star Images (2008) (6)
- A complete quantum mechanical study of chlorine photodissociation. (2012) (6)
- Relativistic configuration interaction calculations of the potential curves and radiative lifetimes of the low-lying states of bismuth nitride (1997) (6)
- The effect of variable electronic transition moment on the EELS intensity distribution within a vibrational progression: use of the R-centroid approximation to analyze results for the CO B-X and O2B′-X transitions (1996) (6)
- Potential energy curves and dipole transition moments to the ground state of the system Ar*(3p54s, 3P, 1P)+Ne (2000) (6)
- Extension of Walsh's rules to more general systems (1972) (6)
- Radiative charge transfer and radiative association of protons colliding with Na at low energies (2009) (6)
- MRD CI study of the electron affinity of HO2 and the photodetachment energy of HO2 (1989) (6)
- Quantum-mechanical calculations of charge transfer in collisions of O 3+ with He (2009) (6)
- THE ROLE OF SIMULTANEITY IN THE METHODOLOGY OF THE GLOBAL POSITIONING NAVIGATION SYSTEM (2015) (6)
- Vibrationally-resolved Charge Transfer for Proton Collisions with CO (2007) (6)
- The vibrationally mediated photodissociation of Cl2. (2012) (5)
- Ab initio MRD CI ground and excited state potential curves for addition of O to H2CCH2 and oxirane formation and decomposition (1990) (5)
- Charge Transfer Rate in Collisions of H+ Ions with Si Atoms (1996) (5)
- A coupled treatment of 1 S + and 3 ? states of AgH molecule (2004) (5)
- Production of Photons in Positronium Decay: Critique of the Creation-Annihilation Hypothesis (2020) (5)
- Ab initio calculations on electronic states of CaOH (2002) (5)
- Elastic and electron-capture processes in H + + C 2 H 4 collisions below the 10 − keV regime (2005) (5)
- Ab initio calculation of predissociation linewidths in the Schumann–Runge bands of the oxygen molecule (2001) (5)
- Ab initio MRD–CI calculations on cubane (neutral, carbocation, carboanion) and dissociation of nitrocubanes based on localized orbitals (1991) (5)
- Relativity Theory and the Principle of Rationality of Measurement (2018) (5)
- Electron capture in collisions of H + ions with S atoms and its reverse process below kilo-electron-volt energies (1997) (5)
- The Sign of the Doppler Shift in Ultracentrifuge Experiments (2012) (5)
- Charge transfer and association of protons colliding with potassium from very low to intermediate energies (2010) (5)
- Configuration interaction calculations of potential curves and annihilation rates for positronic complexes of alkali monoxides. (2009) (5)
- The Clock Riddle: The Failure of Einstein's Lorentz Transformation (2014) (5)
- Comparison of the Phenomena of Light Refraction and Gravitational Bending (2009) (5)
- Charge transfer and excitation in slow proton collisions with sodium (2008) (5)
- Spin-orbit configuration interaction study of the ultraviolet photofragmentation of XeH+. (2008) (5)
- Single- and Double-Electron Capture Processes in Low-Energy Collisions of N4+ Ions with He (2020) (5)
- Extension of Schiff's Gravitational Scaling Method to Compute the Precession of the Perihelion of Mercury (2008) (5)
- Abinitio SCF and MRD-CI description of the A2A′ – X2A″ transition of the as yet unknown HNCl molecule (1985) (5)
- Electron capture in collisions of N{sup +} with H and H{sup +} with N (2005) (5)
- Experimental and theoretical study of double-electron capture in collisions of slow C 4 + ( 1 s 2 S 1 ) with He ( 1 s 2 S 1 ) (2007) (5)
- GRECP/MRD-CI calculations on the Hg atom and the HgH molecule (2002) (5)
- Ab initio study of the BiSe and BiTe electronic spectra: what happens with X2-X1 emission in the heavier Bi chalcogenides? (2004) (5)
- Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p61S0–3p54s3P2)–He (2006) (5)
- The ab initio calculation of the band origin and vibrational frequencies of the Ã-X̃ system of HNCl using the non-rigid bender hamiltonian (1987) (5)
- Calculation of Potential Surfaces for Ground and Excited States (1976) (5)
- The Equivalence Principle and Uniform Coordinate Scaling (2014) (4)
- On the Equality of Relative Velocities Between Two Objects for Observers in Different Rest Frames (4)
- Ab initio MRD-CI Calculations for the decay of molecular excited states via radiative and dissociative mechanisms (1987) (4)
- Calculation of Electronically Excited States in Molecules: Intensity and Vibrational Structure of Spectra, Photochemical Implications (1980) (4)
- Theoretical study of the U.V. spectrum of acetylene: I. Ab initio calculation of singlet electronic states of acetylene by a large-scale CI method (1984) (4)
- Configuration interaction calculations of annihilation rates for positronic complexes of alkali hydrides (2009) (4)
- Degree of freedom in the Lorentz transformation (2013) (4)
- Charge transfer between S^2^+ and He: A comparative study of quantal and semiclassical approaches (9 pages) (2005) (4)
- Stellar Aberration and Light-speed Constancy (2019) (4)
- Positron binding by molecules (2002) (4)
- Accuracy, Timing and General Applicability of the MRD-CI Method (1978) (4)
- Formation and stability of free charged lanthanum hexaboride clusters at field evaporation (2001) (4)
- Charge transfer and association of Li+ colliding with Na from very low to intermediate energies (2015) (4)
- Angular dependence of double electron capture in collisions of C4+ with He (2006) (4)
- Single- and double-electron capture processes in low-energy collisions of N3+ with He (2011) (4)
- Is there a stable B2Π state for the CNO molecule (1987) (4)
- Dipole-forbidden transitions in Se2: ab initio calculations of the radiative lifetimes of the a1Δg and b1Σg + states (1991) (4)
- Ab initio calculations of the electronic transition moments and radiative lifetimes in some BN band systems (1988) (4)
- Deduction of relativistic length variations based on tests using a Cryogenic Optical Resonator (2020) (4)
- Ab initio MRD CI calculation of the zero-field splitting of the 2Π ground state of the CBr molecule (1985) (4)
- Configuration interaction study of the excited states of CO adsorbed on a Pt97 cluster (2003) (4)
- Relativity Theory Based Directly on the Velocity Transformation (2018) (4)
- Rebuttal of Fermi’s denial of nuclear electrons: Part II: Adapting the XBPS method to the description of the Neutron’s internal structure (2021) (4)
- The effects of positron binding and annihilation mechanisms in biomolecules on PET resolution (2005) (4)
- PHOTOLYSIS OF METHANOL AT 185 NM. QUANTUM-MECHANICAL CALCULATIONS AND PRODUCT STUDY (1984) (3)
- Theoretical and experimental study of the electronic states and spectra of KBi and KSb (2017) (3)
- Electronic polarization effects in the photodissociation of Cl2. (2012) (3)
- Exponentially damped Breit-Pauli Hamiltonian for the description of positronium decay and other high energy processes (1992) (3)
- Calculation of Cross-Sections for Proton and Antiproton Stopping in Molecules (2004) (3)
- On the semiclassical approach in the theory of ion–diatomic exchange interaction: its application to charge exchange reactions (2008) (3)
- Electron-capture dynamics in collisions of Si 4 ions with He atoms at intermediate energies (2001) (3)
- Ab initio study of the positronation of the CaO and SrO molecules including calculation of annihilation rates (2012) (3)
- Evidence from the special relativity and blackbody radiation theories for the existence of photons possessing zero kinetic energy (1992) (3)
- The lowest 1(3PJ) and 2(3P2) ion-pair states of ClF: Nonadiabatic effects and emission spectra (2002) (3)
- The Newton-Voigt Space-time Transformation (2019) (3)
- Theoretical prediction of the radiative lifetimes of the two lowest excited electronic states of TeO (1990) (3)
- Charge-transfer cross sections of H+ ions in collisions with Ne atoms in the energy range below 4.0 keV (2007) (3)
- Ab initio calculations of charge transfer in He+ colliding with Ne (2010) (3)
- Electronic states and transitions of the TeX (X = C1, Br, I) radicals (2002) (3)
- Use of Hamilton's canonical equations to rectify Newton's corpuscular theory of light: A Missed opportunity (2004) (3)
- CHARGE-TRANSFER PROCESSES IN COLLISIONS OF H+ IONS WITH PHOSPHORUS ATOMS AT LOW ENERGIES (1999) (3)
- High-resolution photoelectron spectroscopy of HI and DI: Experimental and theoretical analysis of the A 2Σ+ ion system (2003) (3)
- Anab initioCalculation of the Dipole Moment Surfaces and the Vibrational Transition Moments of the H2Te Molecule (1997) (3)
- MRD CI Calculations on the radiative lifetime of the a 2δ state of CH (1989) (3)
- Ab initio CI calculations of the potential curves and nonadiabatic coupling matrix elements for collisions of protons with the ethylene molecule (2003) (3)
- Steric effect in O+/H2 and H+/H2O collisions (2006) (3)
- An ab Initio Calculation of BH−2Rovibronic Energies: A Very Small Singlet–Triplet Splitting (1996) (3)
- Reevaluating Newton’s Theory of Light (2014) (3)
- Individualized configuration selection in CI calculations with subsequent energy extrapolation (1974) (3)
- Rebuttal of Fermi’s denial of nuclear electrons: Part I: Historical background (2021) (3)
- MRD-CI study of the electronic spectrum of Na2Cl (1995) (3)
- A theoretical study of TeOH in its electronic ground state (2007) (2)
- Complex cooridinate scaling and the Schrödinger equation (2014) (2)
- Low-Energy Electron Capture in Collisions of C3+ with He (2009) (2)
- Ab initio CI study of the electronic spectrum of the interstellar free radical CP (Chemical Physics 185 (1994) 39-45) (1994) (2)
- The Myth of FitzGerald-Lorentz Length Contraction and the Reality of Einstein ’ s Velocity Transformation (2013) (2)
- An ab initio CI study of the geometry and spectrum of the HSe2 radical (1990) (2)
- Use of an Objective Rest System to Determine Energy and Momentum Relationships for Observers in Relative Motion (2017) (2)
- Application of Relativity Theory to the Global Positioning System (2014) (2)
- AsH3 ultraviolet photochemistry: an ab initio view. (2012) (2)
- Ab Initio Calculation of Proton−Hydrocarbon Scattering Cross Sections (1998) (2)
- Electron capture and excitation in collisions of O{sup +}({sup 4}S,{sup 2}D,{sup 2}P) with H{sub 2} molecules (2004) (2)
- Use of relativistic effective core potentials in calculating the electronic spectrum of the antimony dimer (1995) (2)
- Quantum Mechanical Relations for the Energy, Momentum and Velocity of Single Photons in Dispersive Media (2006) (2)
- Ab Initio Configuration Interaction Calculations of Rydberg and Mixed Valence-rydberg States (1999) (2)
- Fine-structure Excitation of Ne+ in Collision with Atomic Hydrogen (2019) (2)
- Ab initio study of the lifetime of weakly bound He(21 S)–Ne molecules (2010) (2)
- An ab initio CI study of the lowest electronic states of the HPF molecule (1988) (2)
- Rebuttal of Fermi’s denial of nuclear electrons: Part III XBPS calculations of the neutron’s internal structure (2021) (2)
- Potential energy of the K**-He quasimolecule (2011) (2)
- Resonant charge transfer in slow Li+−Li(2s) collisions (2015) (2)
- On The Relationship Between Relativistic Length Variations and Time Dilation (2014) (2)
- Theoretical configuration interaction study of the vertical electronic spectrum of ethane (1993) (2)
- Theoretical investigation of the character of the electronic states of H2O along a linear dissociation path leading to OH + H (1987) (2)
- Time Dilation and Lightning Flashes on a Train (2017) (2)
- Five Proofs of Isotropic Length Expansion Accompanying Relativistic Time Dilation (2014) (1)
- Use of Gauss-Hermite quadrature to approximate the asymptotic behavior of vibronic resonance wave functions (2011) (1)
- The Myth of Remote Non-simultaneity: Newton Was Right and Einstein Was Wrong (2018) (1)
- Ab Initio Calculation of Adsorption Energy of the CH2 Molecule on the Ni Surface. Preliminary Results (1999) (1)
- Charge transfer and excitation processes in low energy collisions of He+ ions with Li atoms (2021) (1)
- The Lorentz Transformation Sign Ambiguity and Its Relation to Measured Faster-than-c Photon Speeds (2004) (1)
- Comparative study of quantal and semiclassical treatments of charge transfer betweenO+and He (2009) (1)
- Electron capture and excitation in collisions of Si{sup 2+} ions with He atoms at intermediate energies (1999) (1)
- Asymmetric Time Dilation and the Velocity Transformation: Einstein’s Dual Versions of Relativity (2015) (1)
- The lack of internal consistency of the Lorentz transformation and its consequences for the concept of space-time mixing (2016) (1)
- Charge transfer and excitation inH++CH3collisions below10keV (2008) (1)
- Comment on “On the direct complex scaling of matrix elements expressed in a discrete variable representation: Application to molecular resonances” [J. Chem. Phys. 104, 7008 (1996)] (1998) (1)
- Use of time-correlated single photon counting detection to measure the speed of light in water (2005) (1)
- CRITIQUE OF THE TREATMENT OF EINSTEIN'S SPECIAL THEORY OF RELATIVITY IN ISAACSON'S BIOGRAPHY (2020) (1)
- Interaction potentials of Hg* + He at moderate interatomic separations and the radiative decay of the Hg(63P2) metastable state in collisions with He atoms (2001) (1)
- The Clock Riddle and Einstein’s Third Postulate of Special Relativity (2020) (1)
- The Newton-Voigt Relativistic Space-time Transformation (2018) (1)
- Bound States of Positron with Molecules (2001) (1)
- The Universal Time-Dilation Law: Objective Variant of the Lorentz Transformation (2016) (1)
- Relativistic Theory of Gravitation Based Solely on the Uniform Scaling of Physical Properties (2015) (1)
- The Kinetic and Gravitational Scaling of the Units of Electricity and Magnetism (2018) (1)
- MRDCI Study of Doublet States of CO+ Ion and Its Spectroscopic Properties (2019) (1)
- Relativistic Scaling of Physical Properties: Reciprocal Relationship Between Conversion Factors (2016) (1)
- Potential energy surfaces for ground and excited electronic states of the CF3I molecule and their relevance to its A-band photodissociation. (2013) (1)
- Ab initio study of the electronic spectrum of Na2F (1996) (1)
- Nonradiative charge transfer in collisions of protons with rubidium atoms (2012) (1)
- The influence of pseudo states on the single-electron capture processes in low-energy collisions of N5+ with He (2019) (1)
- Lifetime of weakly bound He(21S)-Ne molecules. Temperature dependence (2011) (1)
- Vibrational effect on charge-transfer processes in collisions of H{sup +} and O{sup +} ions with C{sub 2}H{sub 4} molecules at energies below 10 keV/u (2007) (1)
- Comparison of Charge Transfer in Proton Collisions with Methane and Silane for Simulations of Cold Plasma Impurities (2008) (1)
- Newton's Law of Inertia and Clock-rate Proportionality: Einstein's Historic Mistake (2018) (1)
- NONADIABATIC TREATMENT OF THE INTENSITY DISTRIBUTION IN THE V-N BANDS OF ETHYLENE (1982) (1)
- Use of CI Methods for the Study of Molecular Dissociation Processes in Various Electronic States (1978) (1)
- Electron capture in collisions of Al 2+ ions with He atoms at intermediate energies (2001) (1)
- Elastic and inelastic processes in H + + CH 2 collisions between 0.5 and 1.5 keV (2004) (1)
- BAOJ Physics (2018) (1)
- Electron capture processes in Li2+ + H collisions (2015) (1)
- On the Asymmetry in Relativistic Doppler Shifts Caused by Time Dilation: Proposed Two-way Experiment (2009) (1)
- HAFELE-KEATING ATOMIC CLOCK EXPERIMENT AND THE UNIVERSAL TIME-DILATION LAW (2019) (1)
- Application of configuration interaction for the study of relativistic effects in atoms and molecules (1988) (1)
- Einstein ’ s Hidden Postulate (2012) (1)
- The Lorentz Transformation and the Transverse Doppler Effect (2018) (1)
- Chapter 10 - The (SiH)3+ Quasi-Molecule in the Adiabatic Representation (2014) (1)
- MAXWELL'S EQUATIONS, THE RELATIVITY PRINCIPLE AND THE OBJECTIVITY OF MEASUREMENT (2016) (1)
- A Modified Theory of Relativity Based on the Global Positioning System (2016) (1)
- Hamilton's Canonical Equations and Einstein's E=mc Relation (2019) (1)
- Kinetic Energy and the Relativistic Symmetry Principle (2018) (0)
- Close-coupling calculations of fine-structure excitation of Ne II due to H and electron collisions (2016) (0)
- A theoretical investigation of the lowest Bu state of trans-butadiene (1992) (0)
- Laser control of the low-temperature e−+O2+ reaction (2011) (0)
- Brief History of Einstein’s Flawed Version of Relativity Theory: How Phipps and Buenker Fixed It Over a Century Later (2014) (0)
- Accurate atomic Gaussian basis functions for second-row atoms: Small split-valence 3-21SP and 4-22SP basis sets (1997) (0)
- Vibrationally-resolved charge transfer between O$^+$ ions and H$_2$ molecules (2006) (0)
- Electron capture by N^6+ in collisions with atomic hydrogen (2010) (0)
- Low energy electron capture in collisions of C 3 + with (2009) (0)
- Changes in the Relativistic Theory of Electromagnetism Prescribed by Experience with the Global Positioning System (2016) (0)
- Relativity and Gravity Publication List (2018) (0)
- The Dipole Moments and Molar Refractions of Several Trans-Beta-Nitrostyrenes (1964) (0)
- Complex coordinate calculations on predissociated states of diatomic molecules (2002) (0)
- Ab Initio Calculations for Reaction Surfaces Involving Free Radicals (1974) (0)
- ELECTRON CAPTURE CROSS SECTIONS IN COLLISIONS OF 3 He 2 + IONS WITH CO MOLECULE (2015) (0)
- Faster-than-c Particles and the Newton- Voigt Transformation (2020) (0)
- Dissecting Einstein’s Lightning-Strike Example (2022) (0)
- Self-broadening of helium 1 D and 3 D lines (2011) (0)
- Simultaneity, Time Dilation and the Lorentz Transformation (2018) (0)
- Ab-initio study of the open and cyclic isomers of ozone (2003) (0)
- 14pTE-13 Theoretical study of double electron capture in collisions of C^ with He (2004) (0)
- Charge transfer inF2+ions colliding with He atoms below keV energies and its reverse process (2000) (0)
- Semiclassical approach in the theory of single charge transfer in slow ion { diatomic collisions (2008) (0)
- Configuration interaction study including the effects of spin–orbit coupling for the electronic states of the LiX molecules (X = C, Si, Ge, Sn) (2011) (0)
- Quenching of Excited Na due to He Collisions (2006) (0)
- Configuration interaction calculations of cross sections for proton stopping reactions (2012) (0)
- Adjustment of Born‐Oppenheimer electronic wave functions to simplify close coupling calculations (2013) (0)
- FTIR spectra of NaTe and KTe and ab initio calculations of the electronic structure of these molecules (2020) (0)
- John A. Pople Special Issue (1997) (0)
- Lorentz invariance and the Global Positioning System -- Relativity and Gravity Publication - No. 49 (2014) (0)
- 7aWF-3 Electron capture in slow H^+ + C_2H_4 collisions (2002) (0)
- Proof That the Lorentz Transformation is Incompatible with the Law of Causality (2022) (0)
- Determination of Properties of Close-Lying Excited States of Olefins (1983) (0)
- Branching ratios for secondary processes of water ions induced by proton beams in radiation therapy of cancer (2003) (0)
- 28aXE-10 Dissociation mechanisms and fragmeted species of H_2O by proton impact (2003) (0)
- Charge Exchange in O7 + +H collisions (2011) (0)
- Charge transfer and association of protons colliding with potassium from very low to intermediate energies (8 pages) (2010) (0)
- Electron Capture in Proton Collisions with CO. (1999) (0)
- Derivations of Time Dilation using Two Different Lorentz-Type Transformations (2018) (0)
- The Fate of Solar Neutrinos (2022) (0)
- Comparison of Proportional Time Dilation and Remote Non- Simultaneity: Proof that the Lorentz Transformation Is Self-Contradictory (2018) (0)
- THEORETICAL DIPOLE DERIVATIVES FOR HYDROGEN CYANIDE AND DEUTERIUM CYANIDE (1981) (0)
- The Lorentz Transformation for Photons in Dispersive Media and in Gravitational Fields (2006) (0)
- Ro-vibrational Charge Exchange Cross Sections in C $^{4+}$ and H$_{2}$ Scattering at Low Energies (2008) (0)
- Theoretical investigation of collisions between highly-charged N$^{5+}$ and N$^{6+}$ with He (2013) (0)
- Charge transfer in low-energy collisions of Be3+ and B4+ ions with He (2020) (0)
- A ug 2 00 1 GRECP / 5 e-MRD-CI calculation of the electronic structure of PbH (0)
- CHEMICAL PHYSICS OF ATMOSPHERIC PHENOMENA Lifetime of Weakly Bound He(2 1 S)-Ne Molecules. Temperature Dependence (2011) (0)
- On the Equality of Relative Velocities Between Fixed Points for Observers in Different Rest Frames (2014) (0)
- Critique of Einstein’s light-speed postulate (2019) (0)
- Frequency Variations, The Speed of Sound and the Gravitational Red Shift (2020) (0)
- AB INITIO CALCULATION OF BiN SPECTRUM: CAN $^{5}\Sigma^{+} - ^{1}\Sigma$ TRANSITIONS BE OBSERVED? (1996) (0)
- Ernest Davidson Special Issue (2000) (0)
- Charge Transfer Processes in Ion‐Molecule Collisions at Intermediate Energies; the Vibrational Effect, Isotope Effect, Isomer Effect, and Steric Effect (2005) (0)
- Electron capture rates in collisions of H(+) ions with Si atoms: Capture by the ground and excited state (1997) (0)
- The Relativistic Velocity Transformation and the Principle of Absolute Simultaneity (2015) (0)
- Faster-than-c Neutrinos and the Alternative Lorentz Transformation (2018) (0)
- Proof that Einstein’s Light Speed Postulate is Untenable (2022) (0)
- Charge-transfer processes in F{sup 2+}+H{yields}F{sup +}+H{sup +} collisions and the reverse process at low-keV energies (2005) (0)
- Book reviews (1985) (0)
- Charge transfer processes in collisions of slow highly charged ions with polar molecules CO and C3H8 (2009) (0)
- A THEORETICAL INVESTIGATION OF THE RENNER INTERACTIONS AND MAGNETIC DIPOLE TRANSITIONS IN THE $\widetilde{A}^{2}A^{\prime} \rightarrow \widetilde{X}^{2}A^{\prime \prime}$ ELECTRONIC BAND SYSTEM OF $HO_{2}$ (1999) (0)
- Obituary of Mineo Kimura (2009) (0)
- CHARGE TRANSFER PROCESSES IN COLLISIONS OF H^+ IONS WITH H_2 AND CO MOLECULES AT LOW ENERGY REGION (2000) (0)
- Ab initio calculations of the electronic states of AsH2 including dissociation characteristics. (2011) (0)
- Lorentz Invariance and the Global Positioning System (2014) (0)
- Theoretical Study on Electron Capture Resulting from Collisions of C^2+ Ions with H atoms at Low keV Energies (1997) (0)
- Ab Initio Bending Potential Curves for the SiH 2 and SiH 2 + Radicals (1981) (0)
- Clock-rate Corollary to Newton’s Law of Inertia (2022) (0)
- Charge Transfer Processes in Collisions of Si4+ Ions with He Atoms at Intermediate Energies (2001) (0)
- Charge Exchange in O$^{7+}$+H collisions (2011) (0)
- On the ultraviolet photofragmentation of CH3Xe+. (2009) (0)
- Proof of Internal Contradictions in the Lorentz Transformation: The End of Space-time Mixing (2016) (0)
- Steric effect in H 2 O + and H 3 O + collision complexes Charge transfer in O + / H 2 and H + / H 2 O molecular ion systems (2005) (0)
- Uniform Scaling: Relativistic Energy-Momentum Relationships (2021) (0)
- 7aWF-4 Electron capture and excitation in O3+/H_2 collisions (2002) (0)
- SCF and CI Calculations of Bimolecular Reaction Surfaces (1974) (0)
- The Triplet Paradox and the Alternative Lorentz Transformation (2018) (0)
- Hamiltonian matrix representations for the determination of approximate wave functions for molecular resonances (2018) (0)
- Scattering lengths and low-energy cross sections for Na-He collisions (2006) (0)
- Ion Molecule Collisions at Low Energies (2008) (0)
- The theoretical explanation for the sound barrier and its relation to light refraction (2021) (0)
- Pound’s Falling Light Experiment and Einstein’s Elevator (2023) (0)
- The Uniform Scaling Method for Simplified Accurate Computation of the Key Tests of General Relativity (2020) (0)
- AB INITIO SCF AND CI STUDY OF THE ELECTROCYCLIC TRANSFORMATIONS OF CYCLOPROPYL AND ALLYL SYSTEMS (1974) (0)
- Electron excitation processes in low energy collisions of hydrogen–helium atoms (2022) (0)
- Electron Capture in Collisions of C with H^+ and C^+ with H from 0.1 meV to 100 keV. (1997) (0)
- Big Bang Theory based on Hubble’s constant (2020) (0)
- AB-INITIO-UNTERSUCHUNG DER WASSERSTOFFBINDUNG IN (H3N-H...NH3)(+) (1973) (0)
- Theoretical CI study of the vertical electronic spectrum of ethane (1994) (0)
- Theoretical investigations of collisions between highly charged ions and atomic H and He (2014) (0)
- I-M-1 Strong Mode Dependence of 3.8-eV Resonance in CO2 Vibrational Excitation by Electron Impact KIMURA, (1999) (0)
- The Transverse Doppler Effect and the Relativity Principle: Experimental Test of Length Contraction (2014) (0)
- Newton’s Theory of Light and Wave-Particle Duality (2022) (0)
- Elastic andinelastic processes in H ++C2H6 collisions below the 10-KeV regime (2010) (0)
- Theoretical Investigation of the N-V Transition of Ethylene (1981) (0)
- Uniform Scaling of Physical Units and the Principle of Rationality of Measurement (2018) (0)
- Experimental and theoretical study of double-electron capture in collisions of slow C 4 + „ 1 s 2 1 S ... with He „ 1 s 2 1 S ... (2007) (0)
- Ab‐initio multireference ci calculations on CH3NO2 confirm earlier preliminary GVB and MCSCF/CI results that HNO2 and CH3NO2 have multiconfiguration ground electronic states even at equilibrium geometry as well as multiconfiguration excited states (2009) (0)
- Reconciling Einstein’s Postulates with the Objectivity of Measurement: The Reciprocal Lorentz Transformation (2018) (0)
- The Failure of Both Einstein’s Space-time Theory and His Equivalence Principle and Their Resolution by the Uniform Scaling Method (2023) (0)
- POTENTIAL ENERGY AND DIPOLE MOMENT SURFACES FOR SIMULTANEOUS TORSION AND PYRAMIDALIZATION OF ETHYLENE IN ITS LOWEST-LYING SINGLET EXCITED STATES: A CI STUDY OF THE SUDDEN POLARIZATION EFFECT (1980) (0)
- The triplet paradox and the global positioning system-lorentz transformation (2020) (0)
- The Giant Twin’s Travels (2016) (0)
- Contradictions in Einstein’s Special Relativity Theory: Amending the Lorentz Transformation (2015) (0)
- Charge transfer and excitation processes in low energy collisions of He ion with Li atom (2021) (0)
- Contradiction between FitzGerald-Lorentz Length Contraction and Time Dilation: A GPS-Compatible Lorentz Transformation (2016) (0)
- New Small Split-Valence 3-21SP and 4-22SP Gaussian Basis Sets for First- and Secon-row Elements (1997) (0)
- Electronic structures of the $20 and S 3 isomers: an ab inifio CI study*'** (1988) (0)
- Single-and double-electron capture processes in low-energy collisions of N 3 + with (2011) (0)
- Dynamical aspects of longitudinal polarization measurements for weak decay processes: Suggestion for an experimental test of the two-component theory of the neutrino (2002) (0)
- Charge-transfer processes in F 2+ +H→ F + + H + collisions and the reverse process at low-keV energies (2005) (0)
- Elastic and inelastic processes in H + + N H 2 collisions between 0.5 and 1.5 keV (2006) (0)
- Charge transfer and excitation in slow proton collisions with sodium (4 pages) (2008) (0)
- Electron capture processes in Li2+ + H collisions (2015) (0)
- The effects of positron binding and annihilation mechanisms in biomolecules on PET resolution (2004) (0)
- Slow Collisions of Si3+ with Atomic Hydrogen (2010) (0)
- Cross sections for charge transfer reactions in H + O+ and H+ + O collisions below 10 eV (1999) (0)
- Fresnel Light-Drag Formula, Einstein’s Dual Theories of Time Dilation and the Amended Lorentz Transformation (2015) (0)
- The binding energy of the deuteron in the exponentially damped Breit-Pauli-Schrödinger (XBPS) Model (2021) (0)
- Is There a Stable B2II State for the CNO Molecule (1987) (0)
- Ab-Initio Multireference Determinant Configuration Interaction (MRD-CI) and CASSCF Calculations on Energetic Compounds (1986) (0)
- Experimental Refutation of Einstein’s Symmetry Principle (2023) (0)
- Charge exchange in C$^{5+}$ + H collisions (2010) (0)
- Theoretical Study of the Photoinduced C−H Bond Cleavage in Formaldehyde Adsorbed on the Ag(111) Surface (2007) (0)
- THEORETICAL INTEGRATED INTENSITIES FOR THE 2ν2 AND 2ν2-ν2 BANDS OF HYDROGEN CYANIDE AND DEUTERIUM CYANIDE (1982) (0)
- Ab Initio Study of Single- and Double-Electron Capture Processes in Collisions of He2+ Ions and Ne Atoms (2021) (0)
- Elastic and inelastic processes inH++C2H6collisions below the10−keVregime (2005) (0)
- Low-Lying Electronic States of SiH and its Positive Ion (1981) (0)
- The Dipole Moments, Molar Refractions and Ultraviolet Spectra of Several Substituted, β-Alkyl-β-Nitrostyrenes (1969) (0)
- The Hafele-Keating Circumnavigating Atomic Clock Experiment and the Newton-Voigt Relativistic Space-time Transformation (2021) (0)
- Charge transfer processes in collisions of H(+) ions with P atoms at low energies (1999) (0)
- Mass Dilation and the Lewis-Tolman Conjecture (2018) (0)
- Equal Relative Velocity Between Two Objects for Observers in Different Rest Frames (2016) (0)
- Modeling X-ray Emission due to Charge Exchange (2012) (0)
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