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Journal of Computational Chemistry|September 12, 2008
(13)C shielding tensors of crystalline amino acids and peptides: Theoretical predictions based on periodic structure modelsAnmin Zheng, Shang-Bin Liu, Feng DengJournal of Computational Chemistry|November 15, 2008
On the nature of the pi --> pi* ionic excited states: the V state of ethene as a prototypeCelestino AngeliJournal of Computational Chemistry|November 15, 2008
Using support vector machines for prediction of protein structural classes based on discrete wavelet transformJian-Ding Qiu, San-Hua Luo, Jian-Hua Huang, et al.Journal of Computational Chemistry|November 15, 2008
Evaluation of electroosmotic drag coefficient of water in hydrated sodium perfluorosulfonate electrolyte polymerLiuming Yan, Changle Shao, Xiaobo JiJournal of Computational Chemistry|September 29, 2007
QUILD: QUantum-regions interconnected by local descriptionsMarcel Swart, F Matthias BickelhauptJournal of Computational Chemistry|September 29, 2007
Colle-Salvetti-type correction for electron-nucleus correlation in the nuclear orbital plus molecular orbital theoryYutaka Imamura, Hiroyoshi Kiryu, Hiromi NakaiJournal of Computational Chemistry|October 3, 2007
New Tabu Search based global optimization methods outline of algorithms and study of efficiencySvetlana Stepanenko, Bernd EngelsJournal of Computational Chemistry|October 3, 2007
Structure and dynamics of phospholipid bilayers using recently developed general all-atom force fieldsLula Rosso, Ian R GouldJournal of Computational Chemistry|July 11, 2008
Dispersion in the Mott insulator UO2: A comparison of photoemission spectroscopy and screened hybrid density functional theoryLindsay E Roy, Tomasz Durakiewicz, Richard L Martin, et al.Journal of Computational Chemistry|August 28, 2007
Excited states of GFP chromophore and active site studied by the SAC-CI method: effect of protein-environment and mutationsJun-Ya Hasegawa, Kazuhiro Fujimoto, Ben Swerts, et al.Pageof 598