jo.\*:(%22The Journal of chemical physics%22)
Results 1 to 25 of 3394573
Selection :
Accurate three-dimensional quantum scattering calculations for the F+H2 reaction on a new potential energy surfaceKRESS, J. D.The Journal of chemical physics. 1993, Vol 98, Num 6, pp 5106-5107, issn 0021-9606Article
A Born-Green-Yvon integral equation treatment of compressible lattice mixturesLIPSON, J. E. G; BRAZHNIK, P. K.The Journal of chemical physics. 1993, Vol 98, Num 10, pp 8178-8185, issn 0021-9606Article
A Gaussian-2 ab initio study of van der Waals dimers R1R2 and their cations R1R2+ (R1, R2=He, Ne, Ar, and Kr)NGAI LING MA; WAI-KEE LI; NG, C. Y et al.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3617-3621, issn 0021-9606Article
A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibrationMARTI, J; BISHOP, D. M.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3860-3864, issn 0021-9606Article
A finite element implementation of exterior complex scaling for the accurate determination of resonance energiesSCRINZI, A; ELANDER, N.The Journal of chemical physics. 1993, Vol 98, Num 5, pp 3866-3875, issn 0021-9606Article
A general method for the prediction of the three dimensional structure and folding pathway of globular proteins : application to designed helical proteinsKOLINSKI, A; GODZIK, A; SKOLNICK, J et al.The Journal of chemical physics. 1993, Vol 98, Num 9, pp 7420-7433, issn 0021-9606Article
A heuristic radial distribution function for hard disksYUSTE, S. B; SANTOS, A.The Journal of chemical physics. 1993, Vol 99, Num 3, pp 2020-2023, issn 0021-9606Article
A model for nonadiabatic coupling in the photodissociation of I2-solvent complexesDARDI, P. S; DAHLER, J. S.The Journal of chemical physics. 1993, Vol 98, Num 1, pp 363-372, issn 0021-9606Article
A molecular dynamics simulation of polyethyleneKRISHNA PANT, P. V; JIE HAN; SMITH, G. D et al.The Journal of chemical physics. 1993, Vol 99, Num 1, pp 597-604, issn 0021-9606Article
A molecular model for tilting phase transitions between condensed phases of Langmuir monolayersKAGANER, V. M; OSIPOV, M. A; PETERSON, I. R et al.The Journal of chemical physics. 1993, Vol 98, Num 4, pp 3512-3527, issn 0021-9606Article
A multiconfiguration time-dependent Hartree approximation based on natural single-particle statesJANSEN, A. P. J.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 4055-4063, issn 0021-9606Article
A multireference configuration interaction study of the low-lying electronic states of ClO+2 and the X 1A1 state of ClO-2PETERSON, K. A; WERNER, H.-J.The Journal of chemical physics. 1993, Vol 99, Num 1, pp 302-307, issn 0021-9606Article
A new band system of nitrogen : observation of the N2(G3Δg→W3Δu) transitionBACHMANN, R; OTTINGER, C; VILESOV, A. F et al.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 3262-3267, issn 0021-9606Article
A nonlinear regularization method for the analysis of photon correlation spectroscopy dataHONERKAMP, J; MAIER, D; WEESE, J et al.The Journal of chemical physics. 1993, Vol 98, Num 2, pp 865-872, issn 0021-9606Article
A perturbation approach to predict infrared spectra of small molecular clusters applied to methanolBUCK, U; SCHMIDT, B.The Journal of chemical physics. 1993, Vol 98, Num 12, pp 9410-9424, issn 0021-9606Article
A study of the energetics of the Cl2/MgO(001) interface using correlation corrected periodic Hartree-Fock theoryMCCARTHY, M. I; HESS, A. C; HARRISON, N. M et al.The Journal of chemical physics. 1993, Vol 98, Num 8, pp 6387-6391, issn 0021-9606Article
A theory for calculating the surface-adsorbate bond dissociation energy from collision-induced desorption threshold measurementsSZULCZEWSKI, G; LEVIS, R. J.The Journal of chemical physics. 1993, Vol 98, Num 7, pp 5974-5977, issn 0021-9606Article
Ab initio studies of open-shell complexes of CO+ with rare gasesHAMILTON, P. A; HUGHES, A. N; SALES, K. D et al.The Journal of chemical physics. 1993, Vol 99, Num 1, pp 436-440, issn 0021-9606Article
Absorption spectroscopy of nonlinear excitations in polyanilineSARICIFTCI, N. S; SMILOWITZ, L; CAO, Y et al.The Journal of chemical physics. 1993, Vol 98, Num 4, pp 2664-2669, issn 0021-9606Article
An ab initio investigation of the significance of the HOOF intermediate in coupling reactions involving FOOx and HOx speciesFRANCISCO, J. S.The Journal of chemical physics. 1993, Vol 98, Num 3, pp 2198-2207, issn 0021-9606Article
An approximate discretized real time path integral simulation method for nearly classical systemsAMINI, A. M; HERMAN, M. F.The Journal of chemical physics. 1993, Vol 98, Num 9, pp 6975-6981, issn 0021-9606Article
An efficient new method for calculating eigenvalues and spectra of van der Waals complexesSLEE, T; LE ROY, R. J.The Journal of chemical physics. 1993, Vol 99, Num 1, pp 360-376, issn 0021-9606Article
An integral equation approximation for the dynamics of reversible electron-transfer reactionsRASSAIAH, J. C; JIANJUN ZHU.The Journal of chemical physics. 1993, Vol 98, Num 2, pp 1213-1227, issn 0021-9606Article
An orientational instability and the liquid-vapor interface of a dipolar hard sphere fluidKASCH, M; FORSTMANN, F.The Journal of chemical physics. 1993, Vol 99, Num 4, pp 3037-3048, issn 0021-9606Article
Analysis of Raman trace scattering intensities in alkanes with the theory of atoms in moleculesGOUGH, K. M; SRIVASTAVA, H. K; BELOHORCOVA, K et al.The Journal of chemical physics. 1993, Vol 98, Num 12, pp 9669-9677, issn 0021-9606Article
