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Results 1 to 25 of 81453

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Intermolecular complexes: the role of van der Waals systems in physical chemistry and in the biodisciplinesHOBZA, Pavel; ZAHRADNIK, Rudolf; STULIKOVA, Madeleine et al.Studies in physical and theoretical chemistry. 1988, Vol 52, pp 1-307, issn 0167-6881, 305 p.Serial Issue

Anisotropic intermolecular forces from Hartree-Fock plus damped dispersion (HFD) calculations application to Ar-HCl and Ar-HFDOUKETIS, C; HUTSON, J. M; ORR, B. J et al.Molecular physics (Print). 1984, Vol 52, Num 4, pp 763-782, issn 0026-8976Article

New combining rules for well parameters and shapes of the van der Waals potential of mixed rare gas systemsTANG, K. T; TOENNIES, J. P.Zeitschrift für Physik D. Atoms, molecules and clusters. 1986, Vol 1, Num 1, pp 91-101Article

A New Look at the Infrared Spectrum of the Weakly Bound CO-N2 ComplexREZAEI, Mojtaba; MICHAELIAN, K. H; MOAZZEN-AHMADI, N et al.The journal of physical chemistry. A. 2013, Vol 117, Num 50, pp 13752-13758, issn 1089-5639, 7 p.Article

A new formulation of three-body dynamical correlation energy for explicit potential functionsVARANDAS, A. J. C.Chemical physics letters. 1992, Vol 194, Num 4-6, pp 333-340, issn 0009-2614Article

Ion attachment to Van der Waals clustersLEZIUS, M; SCHEIER, P; MÄRK, T. D et al.Zeitschrift für Physik. D, atoms, molecules and clusters. 1993, Vol 26, Num 1-4, pp 210-212, issn 0178-7683Conference Paper

Two new anisotropic potential energy surfaces for N2-He: the use of Hartree-Fock SCF calculations and a combining rule for anisotropic long-range dispersion coefficientsFUCHS, R. R; MCCOURT, F. R. W; THAKKAR, A. J et al.Journal of physical chemistry (1952). 1984, Vol 88, Num 10, pp 2036-2045, issn 0022-3654Article

Intermolecular forces and the properties of interacting moleculesBUCKINGHAM, A. D.Canadian journal of physics (Print). 1985, Vol 63, Num 1, pp 30-33, issn 0008-4204Article

Dipole oscillator strength properties and dispersion energy coefficients for H2SPAZUR, R. J; ASHOK KUMAR; THURAISINGHAM, R. A et al.Canadian journal of chemistry (Print). 1988, Vol 66, Num 4, pp 615-619, issn 0008-4042Article

The non-empirical calculation of second order states. I: Application to the time-dependent coupled Hartree-Fock methodVISSER, F; WORMER, P. E. S.Molecular physics (Print). 1984, Vol 52, Num 4, pp 923-937, issn 0026-8976Article

REFINED AB INITIO CALCULATION OF THE POTENTIAL ENERGY SURFACE OF THE HE-H2 INTERACTION WITH SPECIAL EMPHASIS TO THE REGION OF THE VAN DER WAALS MINIMUMMEYER W; HARIHARAN PC; KUTZELNIGG W et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 4; PP. 1880-1897; BIBL. 68 REF.Article

Computer generation of the symmetry elements of nonrigid moleculesBALASUBRAMANIAN, K.Journal of computational chemistry. 1983, Vol 4, Num 3, pp 302-307, issn 0192-8651Article

Fine-structure spectrum of O2-rare gas van der Waals moleculesVAN DER AVOIRD, A.The Journal of chemical physics. 1983, Vol 79, Num 3, pp 1170-1175, issn 0021-9606Article

Cooperative two-photon absorption. IIANDREWS, D. L; HARLOW, M. J.The Journal of chemical physics. 1984, Vol 80, Num 10, pp 4753-4760, issn 0021-9606Article

A variation-perturbation method for atomic and molecular interactions. II: The interaction potential and van der Waals molecule for Ne-HFGALLUP, G. A; GERRATT, J.The Journal of chemical physics. 1985, Vol 83, Num 5, pp 2323-2327, issn 0021-9606Article

Internal rotation in the para-difluorobenzene-nitrogen van der Waals complexSCHÄFER, Martin.PCCP. Physical chemistry chemical physics (Print). 2004, Vol 6, Num 13, pp 3271-3279, issn 1463-9076, 9 p.Article

Time-dependent coupled Hartree-Fock calculations of multipole polarizabilities and dispersion interactions in van der Waals dimers consisting of He, H2, Ne, and N2VISSER, F; WORMER, P. E. S; STAM, P et al.The Journal of chemical physics. 1983, Vol 79, Num 10, pp 4973-4984, issn 0021-9606Article

The nonempirical calculation of second-order molecular properties by means of effective states. III: Correlated dynamic polarizabilities and dispersion coefficients for He, Ne, H2, N2, and O2VISSER, F; WORMER, P. E. S; JACOBS, W. P. J. H et al.The Journal of chemical physics. 1985, Vol 82, Num 8, pp 3753-3764, issn 0021-9606Article

The non-empirical calculation of second-order molecular properties by means of effective states. II: Effective TDCHF spectra for NO+, CO, CO2 and C2H2VISSER, F; WORMER, P. E. S.Chemical physics. 1985, Vol 92, Num 1, pp 129-140, issn 0301-0104Article

Electron-gas intermolecular potential of N2O-Ar: comparison with mean square torques measurementsDREYFUS, C; BALOU, D; BRIGOT-DUTARTRE, N et al.The Journal of chemical physics. 1984, Vol 80, Num 11, pp 5393-5399, issn 0021-9606Article

Damped dispersion energies of some van der Waals moleculesROSENKRANTZ, M. E; REGAN, R. M; KONOWALOW, D. D et al.Journal of physical chemistry (1952). 1985, Vol 89, Num 13, pp 2804-2808, issn 0022-3654Article

The dispersive collision dipole in a pair of polyatomic moleculesGALATRY, L; HARDISSON, A.The Journal of chemical physics. 1983, Vol 79, Num 4, pp 1758-1765, issn 0021-9606Article

A double many-body expansion of molecular potential energy functions. I: Hartree-Fock-approximate correlation energy (HFACE) potential for the HeH2 van der Waals moleculeVARANDAS, A. J. C.Molecular physics (Print). 1984, Vol 53, Num 6, pp 1303-1325, issn 0026-8976Article

DISPERSION FORCES BETWEEN LINEAR MOLECULESCOULON P; LUYCKX R; LEKKERKERKER HNW et al.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 8; PP. 3462-3466; BIBL. 15 REF.Article

Dipole properties, dispersion energy coefficients, and integrated oscillator strengths for SF6KUMAR, A; FAIRKEY, G. R. G; MEATH, W. J et al.The Journal of chemical physics. 1985, Vol 83, Num 1, pp 70-77, issn 0021-9606Article

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