Showing results (3611-3620 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|July 13, 2002
EQUIPATH-an equilibrial path tracing routine for the use with the program package GAUSSIAN94Wolfgang KlieschJournal of Computational Chemistry|July 13, 2002
Molecular mechanics and dynamics of biomolecules using a solvent continuum modelF. Fogolari, G. Esposito, P. Viglino, et al.Journal of Computational Chemistry|July 13, 2002
Effective atom volumes for implicit solvent models: comparison between Voronoi volumes and minimum fluctuation volumesMichael Schaefer, Christian Bartels, Fabrice Leclerc, et al.Journal of Computational Chemistry|May 16, 2002
Relativistic electronic structure theoryTakahito Nakajima, Takeshi Yanai, Kimihiko HiraoJournal of Computational Chemistry|March 13, 2003
Performance assessment of density-functional methods for study of charge-transfer complexesMeng-Sheng Liao, Yun Lu, Steve ScheinerJournal of Computational Chemistry|June 24, 2003
Energy decomposition in molecular complexes: implications for the treatment of polarization in molecular simulationsCarles Curutchet, Josep María Bofill, Begoña Hernández, et al.Journal of Computational Chemistry|December 17, 2002
Conformational analysis by intersection: CONANAndrew Smellie, Robert Stanton, Randy Henne, et al.Journal of Computational Chemistry|December 17, 2002
Molecular mechanics force-field development for amino acid zwitterionsK N Kirschner, A H Lewin, J P BowenJournal of Computational Chemistry|May 22, 2003
A local interpolation scheme using no derivatives in potential sampling: application to O(1D) + H2 systemToshimasa Ishida, George C SchatzJournal of Computational Chemistry|May 22, 2003
A novel approach for designing simple point charge models for liquid water with three interaction sitesAlice Glättli, Xavier Daura, Wilfred F Van GunsterenPageof 598