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Journal of Molecular Modeling|September 29, 2017
Polarization, donor-acceptor interactions, and covalent contributions in weak interactions: a clarificationTimothy ClarkJournal of Molecular Modeling|October 1, 2017
Investigation of the 'double cross' splitting mechanism of single-crystal diamond under nanoindentation via molecular dynamics simulationLinyuan Wang, Hao Ke, Jie Ma, et al.Journal of Molecular Modeling|October 6, 2017
Erratum to: First hyperpolarizability of cyclooctatetraene modulated by alkali and alkaline earth metalsRia Sinha Roy, Avijit Mondal, Prasanta K NandiJournal of Molecular Modeling|October 8, 2017
Surfactant chain length and concentration influence on the interfacial tension of two immiscible model liquids: a coarse-grained approachR Catarino Centeno, R A Bustamante-Rendón, J S Hernández-Fragoso, et al.Journal of Molecular Modeling|March 15, 2018
Reaction mechanism of organoselenium-catalyzed syn-dichlorination of alkenes: a DFT studyLijun Fu, Xueli Mu, Baiqing LiJournal of Molecular Modeling|November 28, 2017
A DFT study on graphene, SiC, BN, and AlN nanosheets as anodes in Na-ion batteriesA Hosseinian, E Saedi Khosroshahi, K Nejati, et al.Journal of Molecular Modeling|November 28, 2017
Density functional theory study of structural and electronic properties of trans and cis structures of thiothixene as a nano-drugAkram Noori Tahneh, Samaneh Bagheri Novir, Ebrahim BalaliJournal of Molecular Modeling|November 28, 2017
Theoretical investigation of the effects of the molar ratio and solvent on the formation of the pyrazole-nitroamine cocrystal explosive 3,4-dinitropyrazole (DNP)/2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20)Shuang-Fei Zhu, Shu-Hai Zhang, Rui-Jun Gou, et al.Journal of Molecular Modeling|March 1, 2018
Computational investigation of the molecular conformation-dependent binding mode of (E)-β-farnesene analogs with a heterocycle to aphid odorant-binding proteinsShaoqing Du, Zhaokai Yang, Yaoguo Qin, et al.Journal of Molecular Modeling|March 2, 2018
Schiff base complexes that form sandwich compoundsRoberto Salcedo, Marlene BosquezPageof 697