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Journal of Molecular Modeling|March 17, 2016
Methane activation on nickel oxide clusters with a concerted mechanism: a density functional theory study of the effect of silica supportYanyan Xi, Bili Chen, Xufeng Lin, et al.Journal of Molecular Modeling|March 18, 2016
Theoretical study of the effect of N-oxides on the performances of energetic compoundsWei-peng Lai, Peng Lian, Zhong-xue Ge, et al.Journal of Molecular Modeling|April 15, 2016
Deprotonation and acidity characterization of biomass sugars: a first-principles studyGang Yang, Chang Zhu, Lijun ZhouJournal of Molecular Modeling|October 27, 2015
Optimization of enrofloxacin-imprinted polymers by computer-aided designZhengqiang Dai, Junbo Liu, Shanshan Tang, et al.Journal of Molecular Modeling|August 28, 2015
Greedy replica exchange algorithm for heterogeneous computing gridsChristopher Lockhart, James O'Connor, Steven Armentrout, et al.Journal of Molecular Modeling|August 28, 2015
Mechanistic insights into small molecule activation induced by ligand cooperativity in PCcarbeneP nickel pincer complexes: a quantum chemistry studyCheng-Cheng Liu, Qing-Lan Liu, Zun-Yi Wu, et al.Journal of Molecular Modeling|August 15, 2015
Enhancing the hydrogen bond between the bridged hydrogen atom of diborane and ammoniaLei Gao, Xueying Zhang, Lingpeng Meng, et al.Journal of Molecular Modeling|August 15, 2015
An insight into hydration structure of sodium glycinate from ab initio quantum chemical studyDong Chen, Zhichao Wei, Bo LiuJournal of Molecular Modeling|August 15, 2015
Molecular dynamic simulations of the water absorbency of hydrogelsXiang Ou, Qiang Han, Hui-Hui Dai, et al.Journal of Molecular Modeling|August 17, 2015
Mixtures of amino-acid based ionic liquids and waterVitaly V Chaban, Eudes Eterno FiletiPageof 694