Ad Van Der Avoird
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Physics
Ad Van Der Avoird's Degrees
- PhD Physics University of Amsterdam
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(Suggest an Edit or Addition)Ad Van Der Avoird'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
- Density functional calculations of molecular hyperfine interactions in the zero order regular approximation for relativistic effects (1998) (240)
- N2–N2 interaction potential from ab initio calculations, with application to the structure of (N2)2 (1980) (214)
- Density functional calculations of molecular g-tensors in the zero-order regular approximation for relativistic effects (1997) (203)
- From Intermolecular Potentials to the Spectra of van der Waals Molecules, and Vice Versa (1994) (201)
- Quantum dynamics of non-rigid systems comprising two polyatomic fragments (1983) (166)
- Ab initio studies of the interactions in Van der Waals molecules (1980) (164)
- Water pair potential of near spectroscopic accuracy. I. Analysis of potential surface and virial coefficients (2000) (149)
- Multipole moments, polarizabilities and anisotropic long range interaction coefficients for N2 (1980) (133)
- An improved intermolecular potential for nitrogen (1986) (123)
- Molecular orbital models for hydrogen adsorption on different sites of a nickel crystal (1972) (114)
- LCAO studies of hydrogen chemisorption on nickel: I. Tight-binding calculations for adsorption on periodic surfaces (1976) (107)
- An ab initio intermolecular potential for the carbon monoxide dimer (CO)2 (1990) (104)
- Anisotropy of long range interactions between linear molecules: H2-H2 and H2-He (1979) (100)
- Dynamics of molecular crystals (1986) (99)
- A new He–CO interaction energy surface with vibrational coordinate dependence. I. Ab initio potential and infrared spectrum (1997) (98)
- Water pair potential of near spectroscopic accuracy. II. Vibration-rotation-tunneling levels of the water dimer (2000) (98)
- Quantum dynamics of the van der Waals molecule (N2)2: An ab initio treatment (1982) (95)
- Symmetry‐adapted perturbation theory of nonadditive three‐body interactions in van der Waals molecules. I. General theory (1995) (95)
- (Heisenberg) exchange and electrostatic interactions between O2 molecules: An ab initio study (1984) (94)
- Vibrations, tunneling, and transition dipole moments in the water dimer (2001) (86)
- Towards the complete understanding of water by a first-principles computational approach (2009) (84)
- Structure, internal mobility and spectrum of the ammonia dimer: calculation of the vibration-rotation-tunneling states (1994) (81)
- Perturbation theory for intermolecular interactions in the wave-operator formalism (1967) (79)
- Ab initio potential energy surface, infrared spectrum, and second virial coefficient of the He–CO complex (1995) (72)
- Quantum theoretical calculations of van der Waals interactions between molecules. Anisotropic long range interactions (1977) (69)
- Ab initio calculation of the Heisenberg exchange interaction between O2 molecules (1983) (66)
- Hydrogen bonding in water clusters: Pair and many-body interactions from symmetry-adapted perturbation theory (1999) (66)
- Relationship between configuration interaction and coupled cluster approaches (1982) (65)
- van der Waals rovibration levels and the high resolution spectrum of the argon–benzene dimer (1993) (61)
- Intermolecular potential and rovibrational levels of Ar-HF from symmetry-adapted perturbation theory (1995) (61)
- Computational exploration of the six-dimensional vibration-rotation-tunneling dynamics of (NH3)2 (1992) (60)
- Ab initio potential energy surface and near‐infrared spectrum of the He–C2H2 complex (1995) (58)
- LCAO studies of hydrogen chemisorption on nickel: II. Cluster models for adsorption sites (1976) (58)
- Ab initio valence‐bond calculations of the van der Waals interactions between π systems: The ethylene dimer (1975) (57)
- Ab initio collision‐induced polarizability, polarized and depolarized Raman spectra, and second dielectric virial coefficient of the helium diatom (1996) (56)
- Ab initio potential-energy surface and rotationally inelastic integral cross sections of the Ar–CH4 complex (1997) (55)
- Symmetry-adapted perturbation theory applied to interaction-induced properties of collisional complexes (1996) (53)
- Tunneling dynamics, symmetry, and far-infrared spectrum of the rotating water trimer. II. Calculations and experiments (1996) (52)
- The importance of high-order correlation effects for the CO–CO interaction potential (1999) (52)
- Interaction potential for He-H2 in the region of the Van der Waals minimum (1975) (49)
- The intermolecular vibrations of Ar-styrene and Ar-4-fluorostyrene complexes (1993) (49)
- Tunneling dynamics, symmetry, and far‐infrared spectrum of the rotating water trimer. I. Hamiltonian and qualitative model (1996) (48)
- Extended Huckel calculation of the electron paramagnetic resonance parameters of Copper(II)bis(dithiocarbamate) (1972) (48)
- Ab initio potential energy surfaces of Ar–NH3 for different NH3 umbrella angles (1991) (46)
- Intermolecular interactions by perturbation theory including exchange effects (1967) (46)
- Lattice dynamics of solid N2 with an ab initio intermolecular potential (1980) (43)
- Unambiguous assignment of the van der Waals modes of benzene–Ar by analysis of the rotationally resolved UV‐spectra and comparison with multidimensional calculations (1996) (42)
- Rovibrational motion of co in solid c-60 (1997) (41)
- Quantitative characterization of the (D2O)(3) torsional manifold by terahertz laser spectroscopy and theoretical analysis (1999) (38)
- QUANTITATIVE CHARACTERIZATION OF THE WATER TRIMER TORSIONAL MANIFOLD BY TERAHERTZ LASER SPECTROSCOPY AND THEORETICAL ANALYSIS. II. (H2O)3 (1999) (38)
- Ab Initio Potential Energy Surface and Infrared Spectrum of the Ne−CO Complex (1997) (38)
- TERAHERTZ VIBRATION-ROTATION-TUNNELING SPECTROSCOPY OF WATER CLUSTERS IN THE TRANSLATIONAL BAND REGION (2001) (37)
- Second dielectric virial coefficient of helium gas : quantum-statistical calculations from an ab initio interaction-induced polarizability (1995) (37)
- Theoretically generated vibration-rotation-inversion spectrum of Ar-NH3 (1991) (37)
- The rotational and vibrational dynamics of argon–methane. I. A theoretical study (1999) (36)
- Scattering of Stark-decelerated OH radicals with rare-gas atoms (2011) (36)
- Quantum calculation of vibrational states in the aniline–argon van der Waals cluster (1993) (36)
- Rovibrational spectra of Ar-H2 and Ar-D2 Van der Waals complexes from an ab initio SAPT potential (1994) (35)
- Infrared spectra of the Van der Waals molecule (N2)2 (1985) (35)
- Cold and ultracold nh-nh collisions in magnetic fields (2010) (34)
- Lattice dynamics of the ethylene crystal with interaction potentials from ab initio calculations (1978) (34)
- Ab initio description of large amplitude motions in solid N2. II. Librons in the beta-phase and the alpha-beta phase transition (1984) (34)
- The van der Waals rovibrational states of the Ar–NH3 dimer (1991) (33)
- The O2–O2 dimer: Magnetic coupling and spectrum (1987) (33)
- Ab initio potential energy surfaces of Ar-H2O and Ar-D2O (1991) (33)
- The Ne-O2 potential energy surface from high-resolution diffraction and glory scattering experiments and from the Zeeman spectrum (1991) (33)
- Infrared spectroscopy and ab initio potential energy surface for Ne–C2H2 and Ne–C2HD complexes (1998) (32)
- Ab initio description of large amplitude motions in solid N2. I - Librons in the ordered alpha and gamma phases. II - Librons in the beta-phase and the alpha-beta phase transition (1984) (32)
- Magnetic coupling and dynamics in solid alpha and beta-O2. I. An ab initio theoretical approach (1987) (32)
- The nature of monomer inversion in the ammonia dimer (1994) (30)
- Ab initio dipole surfaces, vibrationally averaged dipole moments, and infrared transition intensities for KCN and LiCN (1984) (30)
- VIBRATION AND ROTATION OF CO IN C60 AND PREDICTED INFRARED SPECTRUM (1996) (30)
- Determining the nature of quantum resonances by probing elastic and reactive scattering in cold collisions (2020) (30)
- Resolving rainbows with superimposed diffraction oscillations in NO + rare gas scattering: experiment and theory (2015) (29)
- Model for Dissociative H 2 Chemisorption on Transition Metals (1973) (29)
- Near‐infrared spectrum and rotational predissociation dynamics of the He–HF complex from an ab initio symmetry‐adapted perturbation theory potential (1994) (29)
- An ab initio CO dimer interaction potential and the computation of the rovibrational spectrum of (CO)2 (2003) (29)
- Rotational state-to-state rate constants and pressure broadening coefficients for He–C2H2 collisions: Theory and experiment (1999) (28)
- Symmetry-adapted perturbation theory of nonadditive three-body interactions in van der Waals molecules. II. Application to the Ar2–HF interaction (1998) (27)
- Some model calculations for adsorption on transition metals (1969) (27)
- The rotational and vibrational dynamics of argon-methane. II. Experiment and comparison with theory (1999) (26)
- Ab-initio valence bond calculations on the He--He potential curve using small bases (1975) (26)
- Vibrational overtones in the electronic ground state of the benzene-Ar complex: A combined experimental and theoretical analysis (1998) (26)
- The infrared photodissociation spectra and the internal mobility of SF6, SiF4, and SiH4 dimers (1990) (26)
- Ab initio calculation of the first order interaction energy in excited dimers. The H2O–H2O and H2O–Ne dimers (1979) (26)
- Transformation properties of antisymmetric spin eigenfunctions under linear mixing of the orbitals (1972) (25)
- Density functional calculations of g-tensors of low-spin iron(I) and iron(III) porphyrins (2000) (25)
- Transition Probabilities in the CuCl42−-Complex (1966) (25)
- Ab initio description of large amplitude motions in solid N2. III. Libron–phonon coupling (1984) (25)
- Erratum: Quantum dynamics of the van der Waals molecule (N2)2: An abinitio treatment [J. Chem. Phys. 77, 5664 (1982)] (1984) (25)
- Fine-structure spectrum of O2-rare gas Van der Waals molecules (1983) (24)
- Hartree–Fock–Slater–LCAO calculations on the Cu(II) bis(dithiocarbamate) complex; magnetic coupling parameters and optical spectrum (1980) (24)
- Spectrum and vibrational predissociation of the HF dimer. I. Bound and quasibound states (2003) (23)
- Resolvent method for quantitative calculations on surface states and adsorption : general method (1974) (22)
- Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion (1977) (22)
- Water dimer vibration-rotation tunnelling levels from vibrationally averaged monomer wavefunctions (2010) (21)
- The NH3 umbrella motion in the ArNH3 dimer (1992) (21)
- Hartree-Fock-Slater-LCAO studies of the acetylene-transition metal interaction: I. Chemisorption on Ni surfaces; cluster models (1981) (20)
- Erratum: Symmetry-adapted perturbation theory of nonadditive three-body interactions in Van der Waals molecules : I. General theory [J. Chem. Phys. 103, 8058 (1995)] (1997) (20)
- Lattice dynamics of α‐CO from an ab initio potential (1991) (20)
- Ab initio calculations of the collision-induced dipole in He-H2 : I. A valence bond approach (1978) (20)
- Reply to the Comment on "The importance of high-order correlation effects for the CO-CO interaction potential" - [Chem. Phys. Lett. 314 (1999) 326] (2001) (20)
- Hartree—fock—slater-LCAO calculations on [Fe4S4(SH)4]0, 2−,3−: a model for the 4-Fe active site in high potential iron protein and ferredoxin (1980) (20)
- Note on a perturbation theory for intermolecular interactions in the wave operator formalism (1967) (19)
- Is (NH3)2 hydrogen bonded (1994) (19)
- Close coupling calculations on rotational excitation and inversion of NH3 by collisions with Ar (1992) (18)
- Differential cross sections for rotational excitation of NH3 by collisions with Ar and He. Close coupling results and comparison with experiment (1996) (18)
- Dynamics of co molecules in solid c-60 as a function of cavity size (1998) (18)
- Hartree-Fock-Slater LCAO calculation of the Mössbauer parameters of some antimony compounds (1983) (18)
- Molecular orbital calculations on copper-chloride complexes (1967) (18)
- Second Virial Coefficients for Atom-Molecule Complexes from Ab Initio SAPT Potentials (1998) (18)
- On the propensity rules for inelastic NH3-rare gas collisions (1995) (18)
- Singlet–triplet excitation spectrum of the CO–He complex. I. Potential surfaces and bound–bound CO(a 3Π←X 1Σ+) transitions (2003) (18)
- Wave operator perturbation theory for intermolecular interactions a test on H+2 (1967) (17)
- Molecular Dynamics Study of Temperature Effects on Water Structure and Kinetics (2014) (16)
- Simplified methods for the ab-initio calculation of van der Waals interactions including exchange (1975) (16)
- The 583.2 GHz torsional hot-band of (D2O)3 (2001) (16)
- Structure and lattice dynamics of the ordered phase of solid C70 (1993) (16)
- Ab initio and indo molecular orbital calculations of the geometries and electronic structures of substituted sulfines (1977) (16)
- Pseudorotation tunneling in several water trimer isotopomers (1999) (15)
- Stark effect and dipole moments of the ammonia dimer in different vibration-rotation-tunneling states (1996) (15)
- Rotational Spectroscopy of the NH3–H2 Molecular Complex (2017) (15)
- QUANTUM CALCULATION OF INELASTIC CO COLLISIONS WITH H. II. PURE ROTATIONAL QUENCHING OF HIGH ROTATIONAL LEVELS (2015) (14)
- Is the NH3–NH3 riddle solved? (1994) (14)
- Method for the ab initio calculation of intermolecular potentials of ionic clusters: Test on Rg–CO+, Rg=He, Ne, Ar (2003) (14)
- Spectrum and vibrational predissociation of the HF dimer. II. Photodissociation cross sections and product state distributions (2003) (14)
- Photodissociation of the methane–argon complex. I. Ab initio intermolecular potential depending on the methane vibrational coordinates (2002) (13)
- The nuclear quadrupole coupling constants and the structure of the para-para ammonia dimer (1995) (13)
- Torsional motion of the CH3 groups of propane studied by Raman overtone spectroscopy (1990) (12)
- An infrared study on CO intercalated in solid C60 (1999) (12)
- Role of translational-rotational coupling in lattice dynamics and ferroelastic phase transitions; the s-triazine crystal (1984) (11)
- High-resolution spectroscopy of 4-fluorostyrene-rare gas van der Waals complexes: Results and comparison with theoretical calculations (1998) (11)
- Size effects and embedding in cluster models for hydrogen chemisorption (1977) (11)
- Simulating rotationally inelastic collisions using a direct simulation Monte Carlo method (2015) (11)
- The high-resolution spectrum of the Ar–CH4 complex in the m region: measurement and ab initio calculation (2003) (11)
- Diabatic intermolecular potentials and bound states of open-shell atom-molecule dimers: Application to the F(2P)-H2 complex (2003) (11)
- Probing Scattering Resonances in (Ultra)Cold Inelastic NO-He Collisions. (2016) (11)
- Phonons and librons in nitrogen monolayers adsorbed on graphite (1991) (10)
- On the relationship between molecular core binding energies and atomic charges (1970) (10)
- Potential energy and dipole moment surfaces of the triplet states of the O-2(X-3 sigma(-)(g)) - O-2(X-3 sigma(-)(g), a(1) delta(g), b(1)sigma(+)(g)) complex (2017) (10)
- Intramonomer correlation contributions to first-order exchange nonadditivity in trimers (2000) (10)
- He-HF scattering cross sections from an ab initio SAPT potential; confrontation with experiment (1996) (10)
- Erratum: Close coupling calculations on rotational excitation and inversion of NH3 by collisions with Ar [J. Chem. Phys. 97, 6460 (1992)] (1994) (10)
- Internal motion of two-top molecules: propane and dimethylamine (1990) (10)
- On the anomalous vibron-phonon dispersion in solid tetracyanoethene, C2(CN)4 (1989) (10)
- Effects of the potential anisotropy on the calculated fine-structure spectrum of O2He (1984) (10)
- Dynamical and optical properties of the ethylene crystal: Self‐consistent phonon calculations using an ‘‘ab initio’’ intermolecular potential (1981) (10)
- Total differential cross sections for Ar–CH4 from an ab initio potential (1998) (10)
- Vibron band structure in chlorinated benzene crystals : lattice dynamics calculations and Raman spectra of 1,2,4,5-tetrachlorobenzene (1988) (9)
- Photodissociation of the methane–argon complex. II. Vibrational predissociation dynamics, spectral linewidths and fragment state distributions (2002) (9)
- Intermolecular potential and rovibrational states of the H2O–D2 complex (2012) (9)
- Total differential cross sections and differential energy loss spectra for He–C2H2 from an ab initio potential (1997) (9)
- Phonons and rotons in commensurate p-H2 and o-D2 monolayers on graphite. (1991) (9)
- Entrance channel effects in the reaction of aligned Ca(1 P) with HCl (1997) (9)
- Semiclassical calculations on the energy dependence of the steric effect for the reactions Ca(1 D) + CH3X (jkm = 111) -> CaX + CH3 with X = F, Cl, Br (1996) (9)
- Vibrational predissociation of the ND3-Ar Van der Waals complex : comparison with NH3-Ar (1997) (8)
- Transformation properties of many‐electron wave functions with special attention to the relation between pair‐correlated DODS and configuration interaction (1974) (8)
- Erratum : Bound states of the C1 (2 P)-HC1 van der Waals complex from coupled ab initio potential energy surfaces (2003) (8)
- Fragmentation dynamics of the vibrationally excited ammonia–argon van der Waals complex (1995) (8)
- Analytical two- and three-dimensional lattice sums for general multipole interactions (1989) (8)
- Lattice dynamics of tetracyanoethylene (1979) (8)
- Singlet–triplet excitation spectrum of the CO–He complex. II. Photodissociation and bound-free CO(a 3Π←X 1Σ+) transitions (2003) (8)
- On the energy dependence of the steric effect for atom–molecule reactive scattering. II. The reaction Ca(1D)+CH3F(JKM=111)→CaF(2Π)+CH3 (1994) (7)
- Quantum mechanical calculation of the collision-induced absorption spectra of N 2 – N 2 with anisotropic interactions (2019) (7)
- QUANTUM CALCULATION OF INELASTIC CO COLLISIONS WITH H. III. RATE COEFFICIENTS FOR RO-VIBRATIONAL TRANSITIONS (2015) (6)
- Translational-rotational coupling in strongly anharmonic molecular crystals with orientational disorder (1985) (6)
- Ab initio potential energy surfaces for NH(3S-)NH(3S-) with analytical long range (2009) (6)
- Magnetic coupling and dynamics in solid α and β‐O2. II. Prediction of magnetic field effects (1987) (6)
- Second‐Order Interactions between Polar Molecules (1966) (6)
- Forty years of ab initio calculations on intermolecular forces (2005) (5)
- Intermolecular Potentials, Internal Motions and the Spectra of Van Der Waals Molecules (1987) (5)
- Ab initio prediction of the vibration-rotation-tunneling spectrum of HCl-(H2O)(2) (2001) (5)
- Theoretical prediction of the structure and infrared spectrum of the molecule-ion complexes NH3-H-, NH3-D-, and ND3-H- (1995) (5)
- Collision‐induced spin‐orbit relaxation of highly vibrationally excited NO near 1 K (2021) (4)
- Theory and Computation of Vibration, Rotation and Tunneling Motions of Van der Waals Complexes and their Spectra (1997) (4)
- Erratum: “Vibrational predissociation of the ND3–Ar Van der Waals complex: Comparison with NH3–Ar” [J. Chem. Phys. 106, 9141 (1997)] (2001) (4)
- Hartree-Fock-Slater-LCAO studies of the acetylene-transition metal interaction. III. Binding to mono- and dinuclear Ni complexes with carbonyl and isocyanide ligands (1981) (4)
- Structure and lattice dynamics of o-H2 and p-D2 monolayers on graphite (1991) (4)
- Hartree-Fock-Slater-LCAO studies of the acetylene-transition metal interaction. IV. Dissociation fragments on Ni surfaces; cluster models (1981) (4)
- Mobility of the monomers in the Van der Waals molecule (N2)2 : comparison with N2 crystals (1982) (3)
- Calculation of exchange forces between molecules by application of the Hellmann-Feynman theorem (1977) (3)
- Rotational Spectroscopy of the NH 3 – H 2 Molecular Complex (2017) (3)
- Diabatic states, nonadiabatic coupling, and the counterpoise procedure for weakly interacting open-shell molecules (2018) (3)
- Vibron band structure in chlorinated benzene crystals: lattice dynamics calculations and Raman spectra of 1,4-dichlorobenzene (1989) (3)
- OVERVIEW ON INTERMOLECULAR POTENTIALS (1992) (3)
- Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 2. Bound-state calculations and infrared spectra. (2007) (3)
- Intermolecular Forces: What can be Learned from Ab Initio Calculations? (1981) (2)
- Modelling the anisotropy of the potential in the dynamics of solid nitrogen (1990) (2)
- Resolvent method for quantitative calculations on surface states and adsorption : II : Adsorption on Shockley surfaces (1975) (2)
- Luminescence spectra and lattice dynamics of NaNO2 in the ferroelectric phase (1992) (2)
- Imaging the inelastic scattering of vibrationally excited NO (v = 1) with Ar (2018) (2)
- Potential expansion for molecules adsorbed or scattered on a surface. (1989) (2)
- Rotational study of the NH 3 – CO complex : Millimeter-wave measurements and ab initio calculations (2017) (2)
- Intermolecular forces and the properties of molecular solids (1991) (2)
- Erratum: “Ab initio computed diabatic potential energy surfaces of OH–HCl” [J. Chem. Phys.122, 244325 (2005)] (2007) (2)
- Contribution of bound dimers, (N2)2, to the interaction induced infrared spectrum of nitrogen (1985) (2)
- Semiclassical calculations on the energy dependence of the steric effect for the reaction Ca(1D)+CH3F(jkm=111)→CaF+CH3 (1996) (2)
- AB INITIO VALENCE-BOND CALCULATIONS OF THE VAN DER WAALS INTERACTIONS BETWEEN PI-SYSTEMS, THE ETHYLENE DIMER (1975) (1)
- Comment on: The molecular symmetry group of the CO dimer and the assignments of the intermolecular vibrations, by: K.M.T. Yamada, J. Mol. Spectrosc. 254 (2009) 87 (2010) (1)
- Rotation operator formalism for open shell complexes (2004) (1)
- Line-shape theory of the transitions in O2–O2 collision-induced absorption (2019) (1)
- Classification of interaction operators with respect to many-particle permutation symmetry (1972) (1)
- Rovibrational states of the H 2 O – H 2 complex : An ab initio calculation (2019) (1)
- Theory of Gas Phase Scattering and Reactivity for Astrochemistry (2016) (1)
- Bound States of the Cl ( 2 P )-HCl van der Waals Complex from Coupled ab Initio Potential Energy Surfaces (1)
- Ab initio Studies of long range interactions between ethylene molecules in the multipole expansion (1977) (1)
- Supplementary information with the Comment on “ Benzene dimer — The free energy landscape ” (1)
- Computation of accurate intermolecular potentials and the spectra of Van der Waals molecules (1994) (1)
- STRUCTURE AND SPECTROSCOPY OF THE CARBON MONOXIDE DIMER: A THEORETICAL APPROACH (2005) (1)
- Predictions of the Properties of Water from First Principles. (2007) (1)
- Ab initio potential energy surfaces for NH([sup 3] Sigma[sup -])--NH([sup 3] Sigma[sup -]) with analytical long range (2009) (1)
- THE EUROPEAN PHYSICAL JOURNAL D Scattering of Stark-decelerated OH radicals with rare-gas atoms (2011) (1)
- Ab initio description of large amplitude motions in solid N 2 . 1 . Librons in the ordered a and y phases (1)
- State-to-State Di ff erential Cross Sections for Inelastic Collisions of NO Radicals with paraH 2 and ortho-D 2 (2017) (1)
- Erratum: Quantum dynamics of the van der Waals molecule (N 2 ) 2 : An ab initio treatment (The Journal of Chemical Physics (1982) 77 (5664)) (1983) (0)
- The 0 2-0 2 dimer : Magnetic coupling and spectrum (2019) (0)
- Rotational Deexcitation of CO in Inelastic Collisions with H (2014) (0)
- An a b in itio interm olecular potential for the carbon m onoxide dim er ( CO ) 2 (0)
- Ammonia – rare gas atoms collisions (2016) (0)
- Magnetic dipole transitions in the oh a(2)sigma(+) <- x-2 pi system (2012) (0)
- ON THE CALCULATED FINE-STRUCTURE SPECTRUM OF 02He (1984) (0)
- Publisher’s Note: “Ab initio potential energy surfaces for NH(Σ3−)−NH(Σ3−) with analytical long range” [J. Chem. Phys.131, 224314 (2009)] (2010) (0)
- Intermolecular potentials and non-adiaiatic effects in complexes of open-shell molecules (2004) (0)
- PARA-ORTHO H2 CONVERSION BY COLLISIONS WITH O2; A FIRST PRINCIPLES APPROACH (2020) (0)
- Ab initio quantumdynamical study of internal motions in N2 crystals and N2 dimers (1982) (0)
- RAMAN TORSIONAL OVERTONE SPECTROSCOPY ON PROPANE AND DIMETHYLAMINE (1990) (0)
- Semiclassical calculations on the energy dependence of the steric effect for the reaction Ca( 1 D)1CH 3 F( jkm5111)òCaF1CH 3 (1996) (0)
- Calculations for different adsorption states of acetylene on nickel (1978) (0)
- POTENTIALS, DYNAMICS, AND SPECTRA OF VAN DER WAALS AND HYDROGEN BONDED CLUSTERS (1998) (0)
- Probing magnetic fields with methanol masers and ro-vibrational collision rates for modeling protoplanetary disks (2018) (0)
- Theoretical studies of cold open-shell molecular complexes (2004) (0)
- OVERTONE VIBRATIONAL SPECTROSCOPY AND DYNAMICS IN H$_2$-H$_2$O COMPLEXES: A COMBINED THEORETICAL AND EXPERIMENTAL STUDY (2012) (0)
- Inelastic scattering of NH3 and ND3 by Ar atoms (2014) (0)
- Predicting high-$j$, high-energy collisional rate coefficients for the H-CO system using ultracold scattering calculations (2015) (0)
- THEORY OF COLLISION-INDUCED ABSORPTION FOR ELECTRONIC TRANSITIONS IN THE ATMOSPHERICALLY RELEVANT O2−O2 AND O2−N2 PAIRS. (2017) (0)
- MOLECULAR ROTATION IN FLOPPY MOLECULES: HE-H3+ (2020) (0)
- Collision-induced absorption with exchange effects and anisotropic interactions : Theory and application to H 2H 2 (2019) (0)
- Ultracold NH-NH collisions in magnetic fields (2010) (0)
- Tw o-vibron ex citatio n s in the ferro electric phase of N a N 02 (1992) (0)
- Correlated energy transfer in rotationally and spin – orbit inelastic collisions of NO ( X 2 P 1 / 2 , j = 1 / 2 f ) with O 2 ( X 3 R g ) (2020) (0)
- Coupled states methods for the calculations of differential cross sections in molecule-molecule collisions (2017) (0)
- COLLISION-INDUCED ABSORPTION WITH EXCHANGE EFFECTS AND ANISOTROPIC INTERACTIONS: THEORY AND APPLICATION TO H2−H2 and N2−N2. (2015) (0)
- Magnetic coupling and dynamics in solid a and ( 302 . 1 . An ab initio theoretical approach (2019) (0)
- Pair and three-body interactions in water probed by cluster spectra : Theory that provides the key (1999) (0)
- BOUND STATE CALCULATIONS OF THE VAN DER WAALS NH3−Ne COMPLEX AND FIRST MICROWAVE DETECTION OF THE MISSING (para)-NH3−Ne NUCLEAR SPIN ISOMER (2020) (0)
- Ab initio calculations of Van der Waals interactions between molecules (1978) (0)
- Note on resolvent method for quantitative calculations on surface states and adsorption (1975) (0)
- Magnetic and dynamic properties of solid oxygen and their dependence on external magnetic fields (1987) (0)
- Tunneling Motions and Spectra of Hydrogen Bonded Complexes; The Ammonia Dimer and the Water Trimer (2000) (0)
- Perturbation theory for intermolecular forces : application to some adsorption models (1968) (0)
- Cover Picture: Structure of the Benzene Dimer—Governed by Dynamics (Angew. Chem. Int. Ed. 19/2013) (2013) (0)
- Magnetic dipole transitions in the OH $A\,^2\Sigma^+ \leftarrow X\,^2\Pi$ system (2012) (0)
- Molecular interactions and photochemical processes (2003) (0)
- QUANTUM-CHEMICAL CALCULATIONS REVEALING THE EFFECTS OF MAGNETIC FIELDS ON METHANOL (2017) (0)
- Theoretical determined water dimer spectra in the near IR and visible regions in the atmosphere (2010) (0)
- N ov 2 01 1 Scattering resonances in slow NH 3He collisions (2017) (0)
- Ab initio potential energy surfaces, nonadiabaticity, and dynamics of hydrogen bonded complexes containing radicals (2005) (0)
- Abstract of articleStructure and lattice dynamics of o-H2 and p-D2 monolayers on graphite (1991) (0)
- Rovibrational and tunneling states of the benzene dimer; an ab initio study (2012) (0)
- On the energy dependence of the steric effect for atom-molecule reactive scattering . II . The reaction Ca ( ‘ D ) + CH , F ( JKM = 111 )-+ CaF (1999) (0)
- Note on ab initio valence bond calculations of the Van der Waals interactions between two ethylene molecules (1975) (0)
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