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Journal of Computational Chemistry|December 15, 2018
A fast scheme to calculate electronic couplings between P3HT polymer units using diabatic orbitals for charge transfer dynamics simulationsTao Yu, Florence Fabunmi, Jingsong Huang, et al.Journal of Computational Chemistry|December 15, 2018
Calculation of hot spots for protein-protein interaction in p53/PMI-MDM2/MDMX complexesDading Huang, Yifei Qi, Jianing Song, et al.Journal of Computational Chemistry|October 25, 2006
A survey of recent developments in ab initio valence bond theoryPhilippe C Hiberty, Sason ShaikJournal of Computational Chemistry|October 25, 2006
Chemical bonding: from Lewis to atoms in moleculesR F W Bader, J Hernández-Trujillo, F Cortés-GuzmánJournal of Computational Chemistry|November 17, 2006
Sigma and pi contributions to the induced magnetic field: indicators for the mobility of electrons in moleculesThomas Heine, Rafael Islas, Gabriel MerinoJournal of Computational Chemistry|November 17, 2006
The existence of secondary orbital interactionsChaitanya S Wannere, Ankan Paul, Rainer Herges, et al.Journal of Computational Chemistry|March 3, 2007
A quantum chemistry study: a new kind of boron nitridesQian Shu Li, Yu XuJournal of Computational Chemistry|March 3, 2007
Using pseudo amino acid composition to predict protein structural class: approached by incorporating 400 dipeptide componentsHao Lin, Qian-Zhong LiJournal of Computational Chemistry|September 19, 2006
Transition metal-boron complexes BnM: from bowls (n = 8-14) to tires (n = 14)Si-Dian Li, Chang-Qing Miao, Jin-Chang Guo, et al.Journal of Computational Chemistry|February 15, 2007
Vibalizer: a free, web-based tool for rapid, quantitative comparison and analysis of calculated vibrational modesAnthony K GraftonPageof 598