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Journal of Molecular Modeling|October 27, 2016
Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculationsJavier Ramos, Victor L CruzJournal of Molecular Modeling|November 1, 2016
TD-M06-2X insights into the absorption and emission spectra of dichlorvos and its molecularly imprinted recognition by methacrylic acidXueli ChengJournal of Molecular Modeling|October 28, 2016
Controlling light absorption and photoelectric properties of coumarin-triphenylaminedye by different acceptor functional groupsChaofan Sun, Yanpeng Bai, Yuanzuo Li, et al.Journal of Molecular Modeling|November 27, 2016
Characterization of B-H agostic compounds involved in the dehydrogenation of amine-boranes by group 4 metallocenesJingwen Zhu, Emilie-Laure Zins, Mohammad Esmaïl AlikhaniJournal of Molecular Modeling|December 7, 2016
Chemotherapeutic drug selectivity between wild-type and mutant BRaf kinases in colon cancerJianchun Zhang, Tao JiJournal of Molecular Modeling|December 13, 2016
A theoretical study of the diastereoselective allylation of aldehydes with new chiral allylsilanesVincent Tognetti, Samir Bouzbouz, Laurent JoubertJournal of Molecular Modeling|December 18, 2016
Insight into electrostatic initiation of nitramine explosivesBisheng Tan, Zhipeng Li, Xudong Guo, et al.Journal of Molecular Modeling|February 21, 2008
DFT-based molecular modeling and vibrational study of the La(III) complex of 3,3'-(benzylidene)bis(4-hydroxycoumarin)Tzvetan Mihaylov, Natasha Trendafilova, Ivelina GeorgievaJournal of Molecular Modeling|February 8, 2008
Hologram and 3D-quantitative structure toxicity relationship studies of azo dyesF A Pasha, Muhammad Muddassar, Hwan Won Chung, et al.Journal of Molecular Modeling|February 19, 2008
Applications of natural orbitals for chemical valence in a description of bonding in conjugated moleculesMariusz Mitoraj, Artur MichalakPageof 708