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Journal of Computational Chemistry|April 1, 2003
Radial quadrature for multiexponential integrandsPeter M W Gill, Siu-Hung ChienJournal of Computational Chemistry|April 1, 2003
Parallelization of four-component calculations. II. Symmetry-driven parallelization of the 4-Spinor CCSD algorithmMarkus Pernpointner, Lucas VisscherJournal of Computational Chemistry|December 24, 2002
An improved method for nonbonded list generation: rapid determination of near-neighbor pairsRobert J Petrella, Ioan Andricioaei, Bernard R Brooks, et al.Journal of Computational Chemistry|March 13, 2003
Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radicalJia-Yan Wu, Jing-Yao Liu, Ze-Sheng Li, et al.Journal of Computational Chemistry|March 13, 2003
Molecular mechanics force field parameterization of the fluorescent probe rhodamine 6G using automated frequency matchingAndrea C Vaiana, Andreas Schulz, Jürgen Wolfrum, et al.Journal of Computational Chemistry|March 13, 2003
High-dimensional model representations generated from low order terms--lp-RS-HDMRGenyuan Li, Maxim Artamonov, Herschel Rabitz, et al.Journal of Computational Chemistry|March 13, 2003
nMoldyn: a program package for a neutron scattering oriented analysis of molecular dynamics simulationsT Róg, K Murzyn, K Hinsen, et al.Journal of Computational Chemistry|October 24, 2002
Consistent treatment of inter- and intramolecular polarization in molecular mechanics calculationsPengyu Ren, Jay W PonderJournal of Computational Chemistry|October 24, 2002
Dynamic Charge Equilibration-Morse stretch force field: application to energetics of pure silica zeolitesJan Sefcik, Ersan Demiralp, Tahir Cagin, et al.Journal of Computational Chemistry|October 24, 2002
Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase testsGeorge A Kaminski, Harry A Stern, B J Berne, et al.Pageof 594