Charles W. Jr. Bauschlicher

Charles W. Jr. Bauschlicher's AcademicInfluence.com Rankings

Chemistry

#3725

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#4765

Historical Rank

Quantum Chemistry

#51

World Rank

#51

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Physical Chemistry

#528

World Rank

#579

Historical Rank

chemistry Degrees

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Chemistry

Charles W. Jr. Bauschlicher's Degrees

PhD Chemistry University of California, Berkeley
Bachelors Chemistry Stanford University

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Charles W. Jr. Bauschlicher'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

A new analysis of charge transfer and polarization for ligand–metal bonding: Model studies of Al4CO and Al4NH3 (1984) (427)
A modification of the Gaussian‐2 approach using density functional theory (1995) (299)
On the nature of the bonding of lone pair ligands to a transition metal (1984) (278)
Spectroscopic and theoretical investigations of vibrational frequencies in binary unsaturated transition-metal carbonyl cations, neutrals, and anions. (2001) (277)
A full CI treatment of the 1A1-3B1 separation in methylene (1986) (184)
The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP (1995) (180)
The metal-carbonyl bond in Ni(CO) 4 and Fe(CO) 5 : A clear-cut analysis (1984) (151)
AB Initio Studies of Transition Metal Systems (1988) (141)
Electron Affinities, Ionization Energies, and Fragmentation Energies of Fen Clusters (n = 2−6): A Density Functional Theory Study (2003) (140)
CASSCF/CI calculations for first row transition metal hydrides: The TiH (4Φ), VH (5Δ), CrH (6Σ+), MnH (7Σ+), FeH (4,6Δ), and NiH (2Δ) states (1983) (139)
The dissociation of H2 on the Ni(100) surface (1984) (139)
Bonding of CO to metal surfaces: A new interpretation (1983) (138)
Small Al clusters. II. Structure and binding in Aln (n=2–6, 13) (1987) (136)
The Calculation of Accurate Harmonic Frequencies of Large Molecules: The Polycyclic Aromatic Hydrocarbons, a Case Study (1997) (135)
Accurate quantum chemical calculations (2007) (130)
Full configuration‐interaction study of the ionic–neutral curve crossing in LiF (1988) (128)
Transition metal oxides: CrO, MoO, NiO, PdO, AgO (1985) (123)
Theoretical study of the spectroscopy of B2 (1990) (118)
On the 1A1–3B1 separation in CH2 and SiH2 (1987) (114)
Theoretical study of the dissociation energy and the red and violet band systems of CN (1988) (105)
Potential energy surfaces of MH2 (M=Co, Fe, and Cu) (1984) (104)
An initio calculations on C2, Si2, and SiC (1987) (95)
Accurate ab initio calculations on the singlet--triplet separation in methylene (1978) (95)
Avoided intersection of potential energy surfaces: The (H+ + H2, H + H2+) system (1973) (87)
Full CI benchmark calculations on N2, NO, and O2: A comparison of methods for describing multiple bonds (1987) (87)
Theoretical study of the first and second negative systems of N+2 (1988) (86)
Theoretical characterization of the minimum energy path for the reaction H+O2→HO2*→HO+O (1988) (85)
Theoretical studies of the low-lying states of ScO, ScS, VO, and VS (1986) (82)
Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules in Condensing Argon. Infrared Spectra and Density Functional Calculations of Iron Oxide Product Molecules (1996) (80)
Core–core and core–valence correlation (1988) (79)
The nature of the metal–CO interaction and bonding (1984) (78)
Cr 2 revisited (1994) (78)
Theoretical studies of the monoxides and monosulfides of Y, Zr, and Nb (1988) (73)
The dissociation energy of CN and C2 (1994) (72)
Theoretical studies of diatomic and triatomic systems containing the group IB atoms Cu, Ag, and Au (1986) (70)
An ab initio study of core–valence correlation (1983) (67)
Theoretical studies of the potential surface for the F+H2→HF+H reaction (1988) (67)
Periodic table of 3d-metal dimers and their ions. (2004) (65)
Theoretical study of the effects of vibrational‐rotational interactions on the Raman spectrum of N2 (1983) (65)
On the use of corresponding orbitals in the calculation of nonorthogonal transition moments (1981) (63)
Theoretical dissociation energies for the alkali and alkaline-earth monofluorides and monochlorides (1986) (60)
How large is the effect of 1s correlation on the De, ωe, and re of N2? (1994) (56)
Theoretical determination of the radiative lifetime of the A 2Σ+ state of OH (1987) (56)
Reactions of Laser-Ablated Copper Atoms with Dioxygen. Infrared Spectra of the Copper Oxides CuO, OCuO, CuOCuO, and OCuOCuO and Superoxide CuOO in Solid Argon (1997) (54)
Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules: Matrix Infrared Spectra and Density Functional Calculations of OFeO, FeOO, and Fe(O2) (1996) (54)
Physics of microclusters (1988) (54)
A full CI treatment of Ne atom - a benchmark calculation performed on the NAS CRAY 2 (1986) (53)
On the low-lying states of CuO (1983) (52)
Enhancement of the dynamical dipole moment in adsorbed molecules: Theoretical studies for CO/Cu(100) (1984) (51)
The bonding of multiple ligands to Mg(+) and Al(+) (1991) (51)
Chemisorption and the properties of metal clusters (1976) (50)
Theoretical study of the spectroscopy of FeH (1990) (50)
Competition between linear and cyclic structures in monochromium carbide clusters CrCn- and CrCn (n = 2-8): a photoelectron spectroscopy and density functional study. (2004) (49)
Theoretical study of the bonding in molecular transition-metal cations (1990) (47)
Saddle point geometry and barrier height for H + F2 → HF + F (1974) (47)
The structure of small metal clusters (1986) (47)
Theoretical study of the X2Π and A2Σ+ states of CUO and CUS (1986) (46)
Theoretical D0 for NH(X 3Σ (1987) (45)
Theoretical evidence for multiple one‐electron 3d bonding in a first row transition metal dimer: The 5Σ−u state of Sc2 (1983) (45)
The bonding in FeN2, FeCO, and Fe2N2: Model systems for side‐on bonding of CO and N2 (1987) (45)
Ab initio potential energy surface for H–H2 (1993) (45)
Theoretical studies of AlF, AlCl, and AlBr (1988) (45)
On the d bond in ScH (1982) (45)
Global dipole moment function for the X 1Σ+ ground state of CO (1995) (44)
A theoretical study of the electric dipole moment function of SiO (1993) (44)
Structural and electronic properties of iron monoxide clusters FenO and FenO− (n=2–6): A combined photoelectron spectroscopy and density functional theory study (2003) (43)
Origin of the coverage-dependent vibrational shift for O on Ni(100) (1984) (42)
Theoretical study of the dipole moment function of OH(X 2Π) (1987) (41)
The dissociation energies of He2, HeH, and ArH: A bond function study (1999) (41)
Reactions of Laser-Ablated Cobalt Atoms with O2. Infrared Spectra of Cobalt Oxides in Solid Argon (1997) (41)
Small Al clusters. I - The effect of basis set and correlation on the geometry of small Al clusters (1987) (40)
Binding of Nitric Oxide to First-Transition-Row Metal Cations: An ab initio Study (1997) (40)
Structure of neutral and charged FenCO clusters (n=1–6) and energetics of the FenCO+CO→FenC+CO2 reaction (2003) (38)
Theoretical study of the CH bond dissociation energy of acetylene (1990) (38)
Theoretical study of the low-lying electronic states of ZnO and ZnS (1986) (38)
Reactions of Laser-Ablated Scandium Atoms with Dioxygen. Infrared Spectra of ScO, OScO, (O2)ScO, (ScO)2, and Sc(O2)2 in Solid Argon (1997) (38)
Bonding in zerovalent Ni compounds: NiN2 and Ni(N2)4 compared with NiCO and Ni(CO)4 (1989) (38)
Infrared Spectra and Quantum Chemical Calculations of Group 2 MO2, O2MO2, and Related Molecules (1996) (37)
Theoretical Study of the Low-Lying States of TiHe(+),TiNe(+),TiAr(+),VAr(+),CrHe(+),CrAr(+),FeHe(+),FeAr(+),CoHe(+),and CoAr(+) (1994) (37)
Electron affinities of the alkali dimers - Na2, K2, and Rb2 (1983) (36)
The nickel-carbonyl binding energy in Ni(CO)x (x = 1-4). A theoretical investigation (1988) (36)
The lower electronic states of ClOO: A computational investigation (1985) (36)
Theoretical study of the bond dissociation energies of methanol (1992) (36)
Supplemental basis functions for the second transition row elements (1983) (35)
On 3d bonding in the transition metal trimers: The electronic structure of equilateral triangle Ca3, Sc3, Sc+3, and Ti+3 (1985) (35)
A FURTHER STUDY OF THE PRODUCTS OF SCANDIUM AND DIOXYGEN REACTIONS (1999) (34)
Interaction of carbon atoms with Fen, Fen, and Fen+ clusters (n = 1-6) (2003) (34)
FAR-INFRARED SPECTROSCOPY OF NEUTRAL CORONENE, OVALENE, AND DICORONYLENE (2009) (33)
Calculated electric dipole moment of NiH X 2Δ (1985) (33)
Infrared spectra of HC[triple bond]C-MH and M-eta2-(C2H2) from reactions of laser-ablated group- 4 transition-metal atoms with acetylene. (2008) (33)
On incorporation of atomic correlation in transition-metal molecular calculations: NiH (1982) (33)
A comparison of ZnO and ZnO (1998) (33)
Reactions of Laser-Ablated Scandium Atoms with Nitrogen: Matrix Infrared Spectra and DFT Calculations for Scandium Nitrides and the Fixation of Nitrogen by Two Scandium Atoms (1998) (32)
NiNO - A model for NO on a metal surface (1984) (31)
Ab initio study of the ground state surface of Cu3 (1986) (31)
The structure and energetics of (GaAs)n, (GaAs)n(-), and (GaAs)n+ (n=2-15). (2008) (30)
Mixed Cu–simple metal dimers and trimers: CuLi, CuLi2, CuNa, CuK, CuBe, CuBe2, Cu2Be, CuAl, and CuAl2 (1987) (30)
Unexpected displacement of alkenes by alkanes in the reactions of Y(alkene)2+. An experimental and theoretical study (1991) (30)
Concerted non-least-motion pathway for the singlet methylene insertion reaction CH/sub 2/(/sup 1/A/sub 1/) + H/sub 2/. -->. CH/sub 4/ (1977) (29)
Structure and properties of Mn(n), Mn(n)-, and Mn(n)+ clusters (n = 3-10). (2006) (29)
The Dissociation Energies of CH4 and C2H2 Revisited (1995) (29)
Theoretical study of the CH bond dissociation energies of CH4, C2H2, C2H4, and H2C2O (1991) (29)
The study of molecular spectroscopy by ab initio methods (1992) (28)
The importance of diffuse f functions for transition metals (1986) (28)
Theoretical confirmation of a 4Δ ground state for FeH (1988) (28)
Core binding-energy shifts for free negative ions of oxygen: O0 to O2− (1980) (28)
Comment on "Evidence for Two States of Chemisorbed Oxygen on Ni(100)" (1983) (27)
All electron GVB/CI potential curves for the X1Σ+g state of Cs2 (1982) (27)
A comparison of the coupled cluster and internally‐contracted averaged coupled‐pair‐functional levels of theory for the calculation of the MCH2+ binding energies for M=Sc to Cu (1992) (27)
Optical properties of (GaAs)n clusters (n = 2-16). (2008) (27)
Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study (2005) (26)
Reactions of Laser-Ablated Y and La Atoms, Cations and Electrons with O2. Infrared Spectra and Density Functional Calculations of the MO, MO+, MO2, MO2+, and MO2- Species in Solid Argon (1999) (25)
The permanent electric dipole moment of chromium monoxide (1989) (25)
The least-motion insertion reaction methylene(1A1) + molecular hydrogen .fwdarw. methane. Theoretical study of a process forbidden by orbital symmetry (1976) (25)
The effect of higher than double excitations on the F+H2→FH+H barrier (1989) (24)
Matrix Infrared Spectra and Density Functional Calculations of Manganese and Rhenium Carbonyl Neutral and Anion Complexes (2000) (24)
Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands. (2012) (23)
Full configuration interaction benchmark calculations for transition moments (1988) (23)
Singlet-triplet separation in dibromomethylene (1980) (22)
Dissociative and associative attachment of NO to iron clusters (2006) (22)
Transition states for the abstraction reactions of triplet methylene with hydrogen and methane (1976) (22)
Theoretical study of the A 3Σ−–X 3Π transition in SiC (1990) (22)
On the dissociation energy of CaOH and LiOH (1984) (21)
On the 3d 64s2 (5D)−3d 74s1 (5F) separation in Fe (1987) (21)
The vibrational frequencies of CaO2, ScO2, and TiO2: a comparison of theoretical methods (1998) (21)
On the low-lying states of WO: A comparison with CrO and MoO (1985) (21)
Heat of Formation of CH2OH (1994) (21)
Accurate ab initio calculations for the 1B1-1A1 separation in methylene (1980) (21)
CAS SCF Cl calculations for the 3Σ−g, 1Σ+g, 3Σ+u, and 5Δu states of Sc2 (1983) (21)
Gallium compounds, a possible problem for the G2 approaches (1999) (20)
Nitrogen-nitrogen bond in dinitrogen tetroxide (1983) (20)
Infrared Spectra of Polycyclic Aromatic Hydrocarbons: Methyl Substitution and Loss of H (1998) (20)
An accurate determination of the HO2 heat of formation (1993) (19)
Chemisorption of O and H on an Al13 cluster (1986) (19)
Spectroscopic and Theoretical Investigations of Vibrational Frequencies in Binary Unsaturated Transition‐Metal Carbonyl Cations, Neutrals, and Anions (2001) (19)
A Study of the Products of the Reaction of Phosphorus and Dioxygen (2000) (18)
REACTION PATHWAYS FOR THE TRIPLET METHYLENE ABSTRACTION CH2((3)B1)+H2-CH3+H (1973) (18)
The heats of formation of SiCln+, for n = 1–4 (1997) (18)
Electronic and geometrical structure of Mn13 anions, cations, and neutrals. (2008) (18)
3d-Metal monocarbonyls MCO, MCO+, and MCO− (M=Sc to Cu): comparative bond strengths and catalytic ability to produce CO2 in reactions with CO (2003) (18)
The atomization energy of Mg4 (1999) (18)
Interaction of water with small Fen clusters (2005) (18)
AN INFRARED SPECTROSCOPIC AND DENSITY FUNCTIONAL THEORETICAL INVESTIGATIONOF THE REACTION PRODUCTS OF LASER-ABLATED SCANDIUM AND TITANIUM ATOMS WITH NITRIC OXIDE (1999) (18)
Theoretical study of the bonding of Sc, Y, and La singly charged and dipositive ions to C2H2, C2H4, and C3H6 (1991) (17)
Theoretical study of the spectroscopy of niobium nitride (1990) (17)
On the electron affinity of Be2 (1984) (16)
Mixed basis set calculations for atomic hydrogen on beryllium(0001) (1982) (16)
The 2Σ+−2Π separation in KO (1992) (15)
The 2D Rydberg series in Al I (1988) (15)
SUBSTRATE FOR ATOMIC CHAIN ELECTRONICS (1999) (13)
On the dn4s2–dn+14s1 separation for selected first row transition metal atoms (1981) (13)
THEORETICAL STUDIES OF TRANSITION METAL DIMERS (1985) (13)
The Importance of Atomic and Molecular Correlation on the Bonding in Transition Metal Compounds (1986) (13)
A low-energy passage for C+ + H2 → CH+(1Σ+) + H (1980) (13)
MOLECULAR STRUCTURE and PROPERTIES OF CH3BeF and CH3MgF (1976) (13)
Chemistry of the scandium-benzyne ion in the gas phase (1991) (12)
Organometallic Distonic Ions: +FeC6H4.bul. (1995) (12)
On the electron affinities of the Ca, Sc, Ti and Y atoms (1989) (12)
Calculation of Mg(+)-ligand relative binding energies (1992) (12)
Theoretical Calculation of Vibrations of Adsorbed Species (1983) (11)
Franck–Condon factors for photodetachment from LiO−, NaO−, and KO− (1993) (11)
Structure and Properties of Fe4 with Different Coverage by C and CO (2004) (11)
A theoretical determination of the radiative lifetimes of the A 2Σ+ and B 2Δ states of CF (1989) (11)
Gas-phase chemistry of Sc(CH3)2+ with alkenes: activation of allylic carbon-hydrogen (C-H) bonds by a d0 system and the migratory insertion of C:C bonds into scandium-methyl (Sc+-CH3) bonds (1992) (11)
Charging and hybridization in the finite cluster model (1983) (10)
On the validity of the Landé interval rule in the alkaline earth atoms (1984) (10)
Theoretical study of the electronic states of AlB (1994) (10)
Concerted non-least-motion pathway for the singlet methylene insertion reaction CH2(1A1) + H2 .fwdarw. CH4 (1976) (10)
The CH dissociation energy of C2H6 (1995) (9)
Comment on ``A MRCI PS and CASSCF study of the ground state MgO dissociation energy'' (1993) (9)
Theoretical study of the spectroscopy of FeH(+). [In cool stellar atmospheres] (1991) (9)
Structure and magnetic properties of (GaAs)nMnm and (GaAs)nFem clusters (2007) (8)
Dissociative and associative attachment of NO to iron clusters. (2005) (8)
Theoretical study of the bonding in LaFe(2+), LaRu(2+) and YRu(2+) (1989) (8)
Theoretical study of NiAr (1989) (8)
N2+ bound quartet and sextet state potential energy curves (1985) (8)
Metal-metal bonding in (C5H5V)2C8H8: a new interpretation of ab initio results (1988) (7)
Theoretical study of the far‐infrared A 3Σ−g–X 3Πu transition in Al2 (1989) (7)
Summary Abstract: Vibrations of Ammonia on the Cu (100) Surface (1986) (7)
Oxidation of carbon monoxide on small iron clusters (2003) (7)
Erratum: Theoretical characterization of the minimum energy path for the reaction H+O2→HO2*→HO+O [J. Chem. Phys. 88, 6273 (1988)] (1989) (7)
On the invariance of the configuration interaction energy with respect to orbital rotations (1993) (7)
Reactions of group 3 metals with OF2: infrared spectroscopic and theoretical investigations of the group 3 oxydifluoride OMF2 and oxyfluoride OMF molecules. (2012) (6)
An Infrared Spectroscopic and Density Functional Theoretical Investigation of the Reaction Products of Laser-Ablated Scandium and Titanium Atoms with Nitric Oxide (1999) (5)
A new interpretation of the CrO - photoelectron detachment spectra (2002) (5)
On the Nature of the Bonding of Lone Pair Ligands to Small Metal Clusters (1984) (5)
Thermal electron attachment to van der Waals molecules containing O2 (1984) (5)
On the choice of gaussian 4f functions for use in calculations on transition metal compounds (1984) (4)
An ab initio study on (C5H5V)2C8H8 (1987) (4)
All-electron DFT modeling of SWCNT growth on iron catalysts from carbon monoxide feedstock. (2006) (4)
A COMPARISON OF CORRELATION-CONSISTENT AND POPLE-TYPE BASIS SETS (1995) (4)
Erratum: A modification of the Gaussian‐2 approach using density functional theory [J. Chem. Phys. 103, 1788 (1995)] (1996) (4)
Structure and Properties of Mnn, Mnn‐, and Mnn+ Clusters (n = 3—10) (2006) (3)
Dissociative and Associative Attachment of CO, N2, and NO to Iron Clusters Fe4, Fe4–, and Fe4+ (2005) (3)
Theoretical study of the dipole moment function of the X2Sigma(+) state of CN. [in comets] (1989) (3)
Reply to the comment on ‘‘A proposal for the proper use of pseudopotentials...’’ by Igel‐Mann and Stoll (1985) (2)
The Sc+–OH and Sc+–OCH3 bond energies in ScOH+, ScOCH3+, Sc(OH)2+, ScOHOCH3+, and Sc(OCH3)2+ (1998) (2)
Recent advances in electronic structure theory and their influence on the accuracy of ab initio potential energy surfaces (1988) (2)
Infrared Spectra and Density Functional Calculations on Binary Unsaturated Transition Metal Carbonyl Cations, Neutrals and Anions (2001) (2)
Erratum: Theoretical studies of AlF, AlCl, and AlBr [J. Chem. Phys. 88, 5715 (1988)] (1988) (2)
CASSCF/CI calculations for first row transition metal hydrides - The TiH(4-phi), VH(5-delta), CrH(6-sigma-plus), MnH(7-sigma-plus), FeH(4,6-delta) and NiH(2-delta) states (1983) (2)
Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules: Matrix Infrared Spectra and Density Functional Calculations of OFeO, FeOO, and Fe(O2). (1996) (2)
A Study of the Products of the Reaction of Phosphorus and Dioxygen. (2000) (1)
Computational approaches to determining accurate band strengths (1994) (1)
Multiconfiguration Self-Consistent-Field Wavefunction for Excited States (1981) (1)
Unexpected Displacement of Alkenes by Alkanes in the Reactions of Y( alkene)2+. An Experimental and Theoretical Study. (1991) (1)
Theoretical study of the X 2Pi and A 2Sigma(+) states of CuO and CuS (1986) (1)
Theoretical characterization of the minimum energy path for the reaction H + O2 to HO2(asterisk) to HO + O (1988) (1)
A New Interpretation of the CrO-Photoelectron Detachment Experiment (2001) (1)
Erratum to “The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP”: [Chem. Phys. Lett. 240 (1995) 533]1 (1998) (1)
All-Electron DFT Modeling of SWCNT Growth Initiation by Iron Catalyst (2006) (1)
The bonding in metal ion systems with multiple ligands (1992) (1)
N 86-30376 Benchmark full configuration-interaction calculations on HF and NH 2 (2008) (0)
The application of ab initio calculations to molecular spectroscopy (1989) (0)
The Nature of the Bonding in the Transition Metal Trimers (1986) (0)
The 2Sigma(+)-2Pi separation in KO (1992) (0)
ON THE ELECTRON AFFINITY OF DIATOMIC BERYLLIUM (1984) (0)
Chemistry of the Scandium-Benzyne Ion in the Gas Phase. (1992) (0)
Structure and chemical bonding of 3d-metal anions (2002) (0)
Algorithms vs. architectures for computational chemistry (1990) (0)
The 2S(+) - 2P separation in KO (1991) (0)
On the electron affinities of the Ca , S c , Ti and Y atoms / ' / C c 2-3 7 / ) f i-72-Le (2003) (0)
DFT Modeling of SWCNT Growth on Iron Catalyst (2006) (0)
Calculated electric dipole moment of NiH X2Delta (1985) (0)
The nature of chemisorbed oxygen on Ni(100) and Cu(100) (1984) (0)
TRANSITION METAL OXIDES: CHROMIUM MONOXIDE, MOLYBDENUM MONOXIDE, NICKEL MONOXIDE, PALLADIUM MONOXIDE, AND SILVER MONOXIDE (1985) (0)
Computational investigation of reactive molecules (1980) (0)
Theoretical studies of the potential surface for the F - H2 greater than HF + H reaction (1987) (0)
Structural and electronic properties of iron monoxide clusters Fe nO and FenO À „ n Ä 2 – 6 ... : A combined photoelectron spectroscopy and density functional theory study (2003) (0)
An ab initio study of core-valence correlation. [in atoms] (1983) (0)
Theoretical confirmation of a 4-Delta ground state for FeH (1988) (0)
Theoretical study of thermodynamic properties and reaction rates of importance in the high-speed research program (1992) (0)
Theoretical Dissociation Energies for Ionic Molecules iff (2008) (0)
The Chemisorption of O and H on an Al13 Cluster (1986) (0)
THE COMPUTED PHOTOLYSIS SPECTRUM AND PRODUCTS OF Cl00. (1979) (0)
Theoretical study of the far-infrared A 3Sigma(-)g - X 3Pi(u) transition in Al2 (1989) (0)
Theoretical study of the A 3Sigma(-)-X 3Pi transition in SiC (1990) (0)
THE INSERTION REACTION OF SINGLET METHYLENE WITH MOLECULAR HYDROGEN (1976) (0)
Ab initio electronic structure studies in molecular spectroscopy and chemical thermodynamics (1994) (0)
ACCURATE AB INITIO CALCULATIONS ON THE SINGLET-TRIPLET SEPARATION IN METHYLENE (1978) (0)
A theoretical determination of the radiative lifetimes of the A 2Sigma(+) and B 2Delta states of CF (1989) (0)
The Bonding in FeN2, FeCO, and Fe2N2: Model Systems for Side-on Bonding of CO and N2 (1987) (0)
MOLECULAR STRUCTURE AND PROPERTIES OF METHYLBERYLLIUM FLUORIDE AND METHYLMAGNESIUM FLUORIDE (1976) (0)
THE SUB-DOPPLER OPTICAL STARK SPECTRUM OF $A^{2}\Pi-X^{2}\Sigma^{+}$ BAND OF CaOH. (1990) (0)
Do bon d function s help for the calculatio n of accurat e bon d energies ? (1998) (0)
Theoretical D(0) for NH(X3Sigma (1987) (0)
On the 3d6 4s2 (5D) - 3d7 4s1 (5F) separation in Fe (1987) (0)
An ab initio Study on (C5H5V)2C8H8. (1987) (0)
Erratum: An ab initio study of CuCO [J. Chem. Phys. 100, 1215 (1994)] (1994) (0)
Gas‐Phase Chemistry of Sc(CH3)+ 2 with Alkenes: Activation of Allylic C‐H Bonds by a d0 System and the Migratory Insertion of C=C Bonds into Sc+‐CH3 Bonds. (1993) (0)

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