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Journal of Molecular Modeling|June 5, 2012
Does the copolymer poly(vinylidene cyanide-tricyanoethylene) possess piezoelectricity?Zhi-Yin Wang, Ke-He Su, Qiong XuJournal of Molecular Modeling|June 5, 2012
Are amino groups advantageous to insensitive high explosives (IHEs)?Xia Cao, Yushi Wen, Bin Xiang, et al.Journal of Molecular Modeling|April 28, 2012
A rotary nano ion pump: a molecular dynamics studyA Lohrasebi, M FeshanjerdiJournal of Molecular Modeling|April 25, 2012
CoMFA/CoMSIA 3D-QSAR of pyrimidine inhibitors of Pneumocystis carinii dihydrofolate reductaseOsvaldo A Santos-Filho, Delphine Forge, Lucas V B Hoelz, et al.Journal of Molecular Modeling|April 25, 2012
XZP + 1d and XZP + 1d-DKH basis sets for second-row elements: application to CCSD(T) zero-point vibrational energy and atomization energy calculationsCesar T Campos, Francisco E Jorge, Júlia M A AlvesJournal of Molecular Modeling|April 25, 2012
DFT study of the interaction between the conjugated fluorescein and dabcyl system, using fluorescene quenching methodMónica Alvarado-González, Marco Gallo, Pablo Lopez-Albarran, et al.Journal of Molecular Modeling|April 25, 2012
The quantum chemical study of the electronic states of S2Cl and its monovalent ionsJiří Czernek, Oldřich ZivnýJournal of Molecular Modeling|September 19, 2015
Molecular modeling of amorphous, non-woven polymer networksConstantin A Krausse, Theodor Milek, Dirk ZahnJournal of Molecular Modeling|March 20, 2016
Attaching an alkali metal atom to an alkaline earth metal oxide (BeO, MgO, or CaO) yields a triatomic metal oxide with reduced ionization potential and redirected polarityGrzegorz Nowiak, Piotr Skurski, Iwona AnusiewiczJournal of Molecular Modeling|May 19, 2016
Discovery of ERBB3 inhibitors for non-small cell lung cancer (NSCLC) via virtual screeningRong Guo, Yuan Zhang, Xiao Li, et al.Pageof 696