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Journal of Computational Chemistry|October 8, 2015
Schleyer hyperconjugative aromaticity and Diels-Alder reactivity of 5-substituted cyclopentadienesBrian J Levandowski, Lufeng Zou, K N HoukJournal of Computational Chemistry|October 8, 2015
Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic tableJoshua R Mulder, Célia Fonseca Guerra, J Chris Slootweg, et al.Journal of Computational Chemistry|October 21, 2015
DSPMP: Discriminating secretory proteins of malaria parasite by hybridizing different descriptors of Chou's pseudo amino acid patternsGuo-Liang Fan, Xiao-Yan Zhang, Yan-Ling Liu, et al.Journal of Computational Chemistry|October 21, 2015
Statistical investigation of surface bound ions and further development of BION server to include pH and salt dependenceMarharyta Petukh, Min Zhang, Emil AlexovJournal of Computational Chemistry|October 22, 2015
A new extension of the polarizable continuum model: Toward a quantum chemical description of chemical reactions at extreme high pressureRoberto CammiJournal of Computational Chemistry|January 8, 2015
Application of polarizable ellipsoidal force field model to pnicogen bondsFang Liu, Likai Du, Jun Gao, et al.Journal of Computational Chemistry|September 16, 2014
A new set of atomic radii for accurate estimation of solvation free energy by Poisson-Boltzmann solvent modelJunya Yamagishi, Noriaki Okimoto, Gentaro Morimoto, et al.Journal of Computational Chemistry|September 17, 2014
Using chiral molecules as an approach to address low-druggability recognition sitesXavier Lucas, Stefan GüntherJournal of Computational Chemistry|September 23, 2014
Melting of icosahedral nickel clusters under hydrostatic pressureBing Fu, Li Chen, Feifei Wang, et al.Journal of Computational Chemistry|July 22, 2014
Valence state parameters of all transition metal atoms in metalloproteins--development of ABEEMσπ fluctuating charge force fieldZhong-Zhi Yang, Jian-Jiang Wang, Dong-Xia ZhaoPageof 598