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Journal of Computational Chemistry|November 24, 2012
Hardness potential derivatives and their relation to Fukui indicesSoumen Saha, Rituparna Bhattacharjee, Ram Kinkar RoyJournal of Computational Chemistry|November 24, 2012
Ab initio calculations of the Ar-ethane intermolecular potential energy surface using bond function basis setsJian-Dong Zhang, Shu-Jin Li, Fu-Ming TaoJournal of Computational Chemistry|May 2, 2002
Quantum bits with polyacetyleneAndre Elvas Pereira da Silva, Geraldo Magela E SilvaJournal of Computational Chemistry|May 2, 2002
Ab initio study on the electronic structures of styrene in the Franck-Condon regionYoshiaki AmatatsuJournal of Computational Chemistry|April 12, 2002
Variational treatment of the vibrational Hamiltonian for NH(3) and H(2)NOPhilippe Marsal, Michel RocheJournal of Computational Chemistry|April 12, 2002
Calculation of the free energy of solvation for neutral analogs of amino acid side chainsAlessandra Villa, Alan E MarkJournal of Computational Chemistry|April 12, 2002
Influence of the presence of small gas molecules in the structure of comblike polyacrylates: a Monte Carlo studySalvador León, David Zanuy, Carlos AlemánJournal of Computational Chemistry|March 27, 2002
Maximum feasibility guideline in the design and analysis of protein folding potentialsJaroslaw Meller, Michael Wagner, Ron ElberJournal of Computational Chemistry|March 27, 2002
Dynamics of large proteins through hierarchical levels of coarse-grained structuresPemra Doruker, Robert L Jernigan, Ivet BaharJournal of Computational Chemistry|March 27, 2002
Rapid grid-based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: applications to the molecular systems and geometric objectsWalter Rocchia, Sundaram Sridharan, Anthony Nicholls, et al.Pageof 593