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Approximate solution of the classical Liouville equation using Gaussian phase packet dynamics : application to enhanced equilibrium averaging and global optimizationJIANPENG MA; HSU, D; STRAUB, J. E et al.The Journal of chemical physics. 1993, Vol 99, Num 5, pp 4024-4035, issn 0021-9606Article

Assessment of methods used for predicting lipophilicity : application to nucleosides and nucleoside basesVISWANADHAN, V. N; RAMI REDDY, M; BACQUET, R. J et al.Journal of computational chemistry. 1993, Vol 14, Num 9, pp 1019-1026, issn 0192-8651Article

Hardness and stoftness in the Ab initio study of polyatomic systemsGALVAN, M; DEL PINO, A. JR; JAONNOPOULOS, J. D et al.Physical review letters. 1993, Vol 70, Num 1, pp 21-24, issn 0031-9007Article

On the role of the molecular electrostatic potential in modelling the activity of non-peptide angiotensin II receptor antagonistsBELVISI, L; BONATI, L; BRAVI, G et al.Journal of molecular structure. Theochem. 1993, Vol 281, Num 2-3, pp 237-252, issn 0166-1280Article

Molecular dynamics on distributed memory (MIMD) parallel computersSMITH, W.Theoretica chimica acta. 1993, Vol 84, Num 4-5, pp 385-398, issn 0040-5744Conference Paper

R-generability, and definability in branching time logicsDAM, M.Information processing letters. 1992, Vol 41, Num 5, pp 281-287, issn 0020-0190Article

Exchange energy of alkali-metal dimer cations calculated from the atomic polarizability with the Holstein-Herring methodTANG, K. T; TOENNIES, J. P; WANSCHURA, M et al.Physical review. A. 1992, Vol 46, Num 7, pp 3746-3752, issn 1050-2947Article

Some advances towards intramolecular electronicsJOACHIM, C; LAUNAY, J. P.Journal of molecular electronics. 1990, Vol 6, Num 1, pp 37-50, issn 0748-7991, 14 p.Article

Metal-alkyl bond dissociation energies for (CH₃)₂Zn, (C₂H₅)₂Zn, (CH₃)₂Cd, and (CH₃)₂HgJACKSON, R. L.Chemical physics letters. 1989, Vol 163, Num 4-5, pp 315-322, issn 0009-2614Article

Determination of the effective kinetic diameter of the complex moleculesLILOV, S. K.Crystal research and technology (1979). 1986, Vol 21, Num 10, pp 1299-1302, issn 0232-1300Article

Quantification of effective polarisability. Applications to studies of X-ray photoelectron spectroscopy and alkylamine protonationGASTEIGER, J; HUTCHINGS, M. G.Perkin transactions. 2. 1984, Num 3, pp 559-564, issn 0300-9580Article

Chemical influences on nuclear beta decay ratesHARSTON, M. R; PYPER, N. C.Journal of physics. B. Atomic and molecular physics. 1984, Vol 17, Num 24, pp L839-L845, issn 0022-3700Article

Distribution functions for very short n-alkane chainsMARK, J. E; CURRO, J. G.The Journal of chemical physics. 1984, Vol 81, Num 12, pp 6408-6409, issn 0021-9606, 2Article

General expressions of positive- and negative-ionic emission currents in dissociative self-surface ionization of binary saltKAWANO, H; KENPO, T.International journal of mass spectrometry and ion physics. 1983, Vol 54, Num 1-2, pp 127-134, issn 0020-7381Article

Comparison of trajectory surface-hopping and Monte Carlo phase-space theory predissociation rate constants for N₂OSAHM, D. K; THOMPSON, D. L.Chemical physics letters. 1993, Vol 210, Num 1-3, pp 175-179, issn 0009-2614Article

Electron transfer via superexchange : a time-dependent approachTODD, M. D; ABRAHAM NITZAN; RATNER, M. A et al.Journal of physical chemistry (1952). 1993, Vol 97, Num 1, pp 29-33, issn 0022-3654Article

Direct SCF structure optimization of large molecules on networks of workstationsVOGEL, S; HUTTER, J; FISCHER, T. H et al.International journal of quantum chemistry. 1993, Vol 45, Num 6, pp 665-678, issn 0020-7608Conference Paper

Polarizabilities of hollow spherical organic molecules with encapsulated cationsROSS, R. S; PINCUS, P; WUDL, F et al.Journal of physical chemistry (1952). 1992, Vol 96, Num 15, pp 6169-6172, issn 0022-3654Article

Some further restrictions on the geometries of transition statesWALES, D. J; LEE, A. M.Chemical physics letters. 1992, Vol 198, Num 3-4, pp 279-282, issn 0009-2614Article

Maximum entropy internal order approach to the study of intramolecular rotations in liquid crystalsBERARDI, R; SPINOZZI, F; ZANNONI, C et al.Journal of the Chemical Society. Faraday transactions. 1992, Vol 88, Num 13, pp 1863-1873Conference Paper

Space concept in chemistryHARGITTAI, I.Pure and applied chemistry. 1992, Vol 64, Num 10, pp 1489-1498, issn 0033-4545Conference Paper

Intrinsic potential energy barrier to twisting in the trans-stilbene S₁ state in hydrocarbon solventsSALTIEL, J; SUN, Y.-P.Journal of physical chemistry (1952). 1989, Vol 93, Num 16, pp 6246-6250, issn 0022-3654, 5 p.Article

Polyhedral rearrangements in cluster compoundsJOHNSON, B. F. G.Journal of the Chemical Society. Chemical communications. 1986, Num 1, pp 27-30, issn 0022-4936Article

Normalized binding ability of elementsZIŁKOWSKI, J.Journal of solid state chemistry (Print). 1986, Vol 61, Num 3, pp 343-346, issn 0022-4596Article