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Dynamique d'une corde extensible et flexible dans des champs de forceMOROZOV, A. I; FRIDMAN, A. M.Žurnal tehničeskoj fiziki. 1985, Vol 55, Num 9, pp 1834-1836, issn 0044-4642Article

Force Fields and Point Charges for Crystal Structure ModelingSVÄRD, Michael; RASMUSON, Ake C.Industrial & engineering chemistry research. 2009, Vol 48, Num 6, pp 2899-2912, issn 0888-5885, 14 p.Article

Transferable force field for water adsorption in cation-exchanged titanosilicatesLARENTZOS, James P; SCHNEIDER, William F; MAGINN, Edward J et al.Industrial & engineering chemistry research. 2007, Vol 46, Num 17, pp 5754-5765, issn 0888-5885, 12 p.Article

Advances in protein structure prediction and de novo protein design : A reviewFLOUDAS, C. A; FUNG, H. K; MCALLISTER, S. R et al.Chemical engineering science. 2006, Vol 61, Num 3, pp 966-988, issn 0009-2509, 23 p.Article

Extraction of analytical potential function parameters from ab initio potential energy surfaces and analytical forcesHAYES, J. M; GREER, J. C.Computer physics communications. 2002, Vol 147, Num 3, pp 803-825, issn 0010-4655, 23 p.Article

Application of Keating's valence force field model to non-ideal wurtzite materialsCAMACHO, D; NIQUET, Y. M.Physica. E, low-dimentional systems and nanostructures. 2010, Vol 42, Num 5, pp 1361-1364, issn 1386-9477, 4 p.Article

Progress in force-field calculations of molecular interaction fields and intermolecular interactionsLILJEFORS, T.Perspectives in drug discovery and design. 1998, Vol 9-11, pp 3-17, issn 0928-2866Article

Treatment of redundancies among internal coordinates in optimizing molecular mechanics force constantsPALMÖ, K; PIETILÄ, L.-O; KRIMM, S et al.Journal of computational chemistry. 1992, Vol 13, Num 9, pp 1142-1150, issn 0192-8651Article

General quadratic force field of the sulfate ion and the relationships between different force fields in tetrahedral moleculesALVAREZ, S; TABACIK, V; CASABO, J et al.Journal of molecular structure. 1984, Vol 106, Num 3-4, pp 293-300, issn 0022-2860Article

Molecular simulation study on the solubility of carbon dioxide in mixtures of cyclohexane + cyclohexanoneMERKER, T; VRABEC, J; HASSE, H et al.Fluid phase equilibria. 2012, Vol 315, pp 77-83, issn 0378-3812, 7 p.Article

Refining classical force fields for ionic liquids: theory and application to [MMIM][Cl]DOMMERT, Florian; HOLM, Christian.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 6, pp 2037-2049, issn 1463-9076, 13 p.Article

Recognition of errors in three-dimensional structures of proteinsSIPPL, M. J.Proteins. 1993, Vol 17, Num 4, pp 355-362, issn 0887-3585Article

Linear force constants in harmonic force fieldsKUCZERA, K.Journal of molecular structure. 1984, Vol 117, Num 1-2, pp 11-18, issn 0022-2860Article

Extended force-field method and statistical mechanics model applied to large polyatomic molecules. III: Adenosine diphosphateESPINOSA-MULLER, A. W; BRAVO NUÑEZ, A. R.Journal of molecular structure. 1985, Vol 199, Num 3-4, pp 241-249, issn 0022-2860Article

Conformational features of bisphenol-A polycarbonateSUNDARARAJAN, P. R.Canadian journal of chemistry (Print). 1985, Vol 63, Num 1, pp 103-110, issn 0008-4042Article

Analyse théorique des vibrations de K2MoO4 et K2Mo2O7POLOZNIKOVA, M. EH; KONDRATOV, O. I; FOMICHEV, V. V et al.Žurnal neorganičeskoj himii. 1988, Vol 33, Num 3, pp 617-622, issn 0044-457XArticle

Parameter values of non-bonded atom-atom interactions in the Morse-potential formulationSTØLEVIK, R.Journal of molecular structure. 1984, Vol 109, Num 3-4, pp 397-399, issn 0022-2860Article

Using an HP-1000 computer to calculate the conformational energy of molecules by Boyd's algorithmMORE, R. A.Computers & chemistry. 1984, Vol 8, Num 2, pp 117-121, issn 0097-8485Article

Path dependent constraints on innovation programmes in production and operations managementWAGNER, Helen T; MORTON, Susan C; DAINTY, Andrew R. J et al.International journal of production research. 2011, Vol 49, Num 10-11, pp 3069-3085, issn 0020-7543, 17 p.Article

REPRESENTATIONS OF MOLECULAR FORCE FIELDS. II. A MODIFIED UREY-BRADLEY FIELD AND AN EXAMINATION OF ALLINGER'S GAUCHE HYDROGEN HYPOTHESIS.FITZWATER S; BARTELL LS.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 17; PP. 5107-5115; BIBL. 39 REF.Article

Vibrational spectra, normal coordinate calculations, and molecular mechanics calculations for 3-methyl-1-hexyne and 5-methyl-1-hexyneCROWDER, G. A; EDWARDS, M.Journal of molecular structure. 1994, Vol 321, Num 3, pp 165-175, issn 0022-2860Article

Parameters for force field calculations of compounds containing tetrahedral tinHORNER, J. H; NEWCOMB, M.Organometallics. 1991, Vol 10, Num 6, pp 1732-1740, issn 0276-7333Article

Computational study of structural and elastic properties of random AlxGayIn1-x-yN alloysOPUSZYNSKI, M. L; MAJEWSKI, J. A.Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 20, issn 0953-8984, 205801.1-205801.12Article

Comparison of the AMBER, CHARMM, COMPASS, GROMOS, OPLS, TraPPE and UFF force fields for prediction of vapor-liquid coexistence curves and liquid densitiesMARTIN, Marcus G.Fluid phase equilibria. 2006, Vol 248, Num 1, pp 50-55, issn 0378-3812, 6 p.Article

Calculation of second virial coefficients of alkanes with the MM2 and MM3 force fieldsNAGY, J; SMITH, V. H; WEAVER, D. F et al.Molecular physics (Print). 1994, Vol 81, Num 5, pp 1039-1047, issn 0026-8976Article

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