Ad Van Der Avoird

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Ad Van Der Avoird

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Physics

Ad Van Der Avoird's Degrees

PhD Physics University of Amsterdam

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Ad Van Der Avoird's Published Works

Number of citations in a given year to any of this author's works

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)
Bound states of the Cl((2)p)-HCI van der Waals complex from coupled ab initio potential energy surfaces (vol 108, pg 9319, 2004) (2004) (0)
Ab initio calculations of the collision-induced dipole in He-H2. I. A valence bond approach3) (2017) (0)
JET-COOLED INFRARED LASER SPECTROSCOPY IN THE UMBRELLA ν2 VIBRATION REGION OF NH3: IMPROVING THE POTENTIAL ENERGY SURFACE MODEL OF THE NH3−Ar VAN DER WAALS COMPLEX (2017) (0)
THE AMMONIA DIMER REVISITED (2012) (0)
Van der Waals moleculen (1991) (0)
SOLID $C_{60}$: A NOVEL MATRIX FOR SMALL MOLECULES (1997) (0)
Using a vibrational averaging technique to understand the role of water dimers in atmospheric absorption (2010) (0)
Ab Initio CalculatioIn of the Heisenberg Exchange Interaction between 02 Molecules (2011) (0)
Efficient computational methods for rovibrational transition rates in molecular collisions (2022) (0)
Experimental and Theoretical Investigation of Resonances in Low-Energy NO-H$_2$ collisions (2020) (0)
ect in the Benzene Dimer (2013) (0)
Velocity-Controlled OH with NO Radicals Quantum-State Resolved Bimolecular Collisions of (2012) (0)

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