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Journal of Molecular Modeling|August 17, 2013
A new reaction mode of germanium-silicon bond formation: insertion reactions of H₂GeLiF with SiH₃X (X = F, Cl, Br)Bingfei Yan, Wenzuo Li, Cuiping Xiao, et al.Journal of Molecular Modeling|December 30, 2015
Periodic density functional theory study of the high-pressure behavior of crystalline L-serine-L-ascorbic acidLimin Chen, Chunsheng Liu, Henan Fang, et al.Journal of Molecular Modeling|January 8, 2016
Empirical correction for PM7 band gaps of transition-metal oxidesXiang Liu, Karl SohlbergJournal of Molecular Modeling|January 11, 2016
How lithium atoms affect the first hyperpolarizability of BN edge-doped grapheneYao-Dong Song, Li-Ming Wu, Qiao-Ling Chen, et al.Journal of Molecular Modeling|January 13, 2016
On the properties of Se⋯N interaction: the analysis of substituent effects by energy decomposition and orbital interactionFangfang Zhou, Ruirui Liu, Jia Tang, et al.Journal of Molecular Modeling|December 19, 2015
Active site binding modes of inhibitors of Staphylococcus aureus mevalonate diphosphate decarboxylase from docking and molecular dynamics simulationsJames K Addo, D Andrew Skaff, Henry M MiziorkoJournal of Molecular Modeling|December 24, 2015
A DFT study of the formation of xanthydrol motifs during electrophilic poly(aryl ether ketone) synthesisSigismund T A G Melissen, Vincent Tognetti, Georges Dupas, et al.Journal of Molecular Modeling|November 19, 2015
Theoretical study on alkali-metal doped N3H3 complexes: an in-depth understanding of the origin of electride and alkalide and their large nonlinear optical propertiesWan-Ming Liang, Zeng-Xia Zhao, Di Wu, et al.Journal of Molecular Modeling|August 9, 2015
Effect of mismatch on binding of ADAR2/GluR-2 pre-mRNA complexJunru Yang, Jianing Song, John Z H Zhang, et al.Journal of Molecular Modeling|September 21, 2015
Empirical force field for cisplatin based on quantum dynamics data: case study of new parameterization scheme for coordination compoundsS Yesylevskyy, Bruno Cardey, S Kraszewski, et al.Pageof 699