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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

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

Polymer modeling: Where has it been and where is it going?RIGBY, David; EICHINGER, B. E.Die Makromolekulare Chemie. Macromolecular symposia. 2003, pp 47-56, issn 0258-0322, isbn 3-527-30705-2, 10 p.Conference Paper

Force field at transition metal surfacesMORAITIS, G; MOKRANI, A; DEMANGEAT, C et al.Surface science. 1995, Vol 331-333, pp 1062-1069, issn 0039-6028, bConference Paper

Attractive steric interactions within molecules. The masking of effects in meta-disubstituted benzenes by buttressed repulsive interactionsANDERSON, J. E; BRU-CAPDEVILLE, V; KIRSCH, P. A et al.Journal of the Chemical Society. Chemical communications. 1994, Num 9, pp 1077-1078, issn 0022-4936Article

Conformation analysis of vitamin D3 derivatives by molecular mechanics. II: 1α,25-dihydroxyvitamin D3 and analoguesMOSQUERA, R. A; RIOS, M. A; TOVAR, C. A et al.Journal of molecular structure. 1989, Vol 213, pp 297-307, issn 0022-2860, 11 p.Article

Conformational studies of bacterial peptidoglycan: structure and stereochemistry of N-acetyl-β-D-glucosamine and N-acetyl-β-D-muramic acidYADAV, P. N. S; RAI, D. K; YADAV, J. S et al.Journal of molecular structure. 1989, Vol 194, pp 19-31, issn 0022-2860, 13 p.Article

Conformational calculations on sandalwood odour molecules. II: Force field investigations on (3-santalol)BEYER, A; WOLSCHANN, P; BECKER, A et al.Flavour and fragrance journal. 1988, Vol 3, Num 4, pp 173-177, issn 0882-5734Article

Solution conformations of β,β-trehalose and its C-disaccharide analog from optical rotationDUDA, C. A; STEVENS, E. S.Journal of the American Chemical Society. 1993, Vol 115, Num 18, pp 8487-8488, issn 0002-7863Article

Isotope effects in molecular mechanics (MM2). Calculations on deuterium compoundsALLINGER, N. L; FLANAGAN, H. L.Journal of computational chemistry. 1983, Vol 4, Num 3, pp 399-403, issn 0192-8651Article

Valence-bond model for silicon force fieldsHUANG-XIN WANG; MESSMER, R. P.Physical review. B, Condensed matter. 1990, Vol 41, Num 8, pp 5306-5311, issn 0163-1829Article

Molecular mechanics study of ion binding by a cyclic pentapeptideLYNN, T. E; KUSHICK, J. N.International journal of peptide & protein research. 1984, Vol 23, Num 6, pp 601-609, issn 0367-8377Article

Variational particle number approach for rational compound designANATOLE VON LILIENFELD, O; LINS, Roberto D; ROTHLISBERGER, Ursula et al.Physical review letters. 2005, Vol 95, Num 15, pp 153002.1-153002.4, issn 0031-9007Article

Energetics of fullerenes with octagonal ringsFOWLER, P. W; MITCHELL, D; SEIFERT, G et al.Fullerene science and technology. 1997, Vol 5, Num 4, pp 747-768, issn 1064-122XArticle

Molecular mechanics parametersALLINGER, N. L; XUEFENG ZHOU; BERGSMA, J et al.Journal of molecular structure. Theochem. 1994, Vol 312, Num 1, pp 69-83, issn 0166-1280Article

Molecular mechanics force-field parameterization proceduresHOPFINGER, A. J; PEARLSTEIN, R. A.Journal of computational chemistry. 1984, Vol 5, Num 5, pp 486-499, issn 0192-8651Article

Calculation of Confined Phonon Spectrum in Narrow Silicon Nanowires Using the Valence Force Field MethodKARAMITAHERI, Hossein; NEOPHYTOU, Neophytos; MOHSEN KARAMI TAHERI et al.Journal of electronic materials. 2013, Vol 42, Num 7, pp 2091-2097, issn 0361-5235, 7 p.Conference Paper

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

Computer modeling of the tetrasaccharide nystoseFRENCH, A. D; MOUHOUS-RIOU, N; PEREZ, S et al.Carbohydrate research. 1993, Vol 247, pp 51-62, issn 0008-6215Article

Yammp : development of a molecular mechanics program using the modular programming methodTAN, R. K.-Z; HARVEY, S. C.Journal of computational chemistry. 1993, Vol 14, Num 4, pp 455-470, issn 0192-8651Article

Empirical force field analysis of the revised structure of coenzyme F430. Epimerization and geometry of the corphinoid tetrapyrroleZIMMER, M.Journal of biomolecular structure & dynamics. 1993, Vol 11, Num 1, pp 203-214, issn 0739-1102Article

MNDO-Berechnungen an schwefelorganischen Verbindungen = MNDO calculation of sulfur organocompoundFABIAN, J; BIRNER, P.Wissenschaftliche Zeitschrift der Technischen Universität Dresden. 1988, Vol 37, Num 3, pp 119-123, issn 0043-6925Article

Brückenkopf-olefinische Isomere des Triquinacens: Derivate des Tricyclo[5.2.1.04,10]deca-1,5,8- und -1,6,8-triens = Oléfines têtes de pont isomères du triquinacène: dérivés du tricyclo [5.2.1.04,10] décatriène-1,5,8 et -1,6,8 = Bridgehead olefinic isomers of triquinacene: derivatives of tricyclo [5.2.1.04,10] deca-1,5,8- and -1,6,8-trieneBUTENSCHÖN, H; DE MEIJERE, A.Chemische Berichte. 1985, Vol 118, Num 7, pp 2757-2776, issn 0009-2940Article

Chain-elongated analogues of a pheromone component of the turnip moth, Agrotis segetum: a structure―activity study using molecular mechanicsLILJEFORS, T; THELIN, B; VAN DER PERS, J. N. C et al.Perkin transactions. 2. 1985, Num 12, pp 1957-1962, issn 0300-9580Article

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