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Journal of Molecular Modeling|August 31, 2019
DFT studies on nitrogen-rich pyrazino [2, 3-e] [1, 2, 3, 4] tetrazine-based high-energy density compoundsRaza Ullah Khan, Simin Zhu, Weihua ZhuJournal of Molecular Modeling|August 31, 2019
Exploring the potential of novel transition metal complexes derived from ONO donor type ligand: a quantum chemical studyShamraiz Hussain Talib, Sajjad Hussain, Shabbir Muhammad, et al.Journal of Molecular Modeling|September 5, 2019
Structural, electronic, optical, and thermodynamic properties of hydrochlorinated Janus graphene: a first-principle studyR Santosh, V KumarJournal of Molecular Modeling|September 5, 2019
Thermal stability and detonation character of nitro-substituted derivatives of imidazoleButong Li, Lulin Li, Sijia ChenJournal of Molecular Modeling|September 9, 2019
Further understanding of the Ru-centered [2+2] cycloreversion/cycloaddition involved into the interconversion of ruthenacyclobutane using the Grubbs catalysts from a reaction force analysisKatherine Paredes-Gil, Fernando Mendizábal, Pablo JaqueJournal of Molecular Modeling|September 2, 2019
Interaction of H2O with (CuS)n, (Cu2S)n, and (ZnS)n small clusters (n = 1-4, 6): relation to the aggregation characteristics of metal sulfides at aqueous solutionsKerry Wrighton-Araneda, René Ruby-Figueroa, Humberto Estay, et al.Journal of Molecular Modeling|May 20, 2015
Towards thermally stable cyclophanediene-dihydropyrene photoswitchesNasir Khan, Nadeem S Sheikh, Ather F Khan, et al.Journal of Molecular Modeling|May 4, 2015
Energetic salts from nitroformate ionPandurang M Jadhav, S Radhakrishnan, Vikas D Ghule, et al.Journal of Molecular Modeling|June 6, 2015
Characterization of interactions and pharmacophore development for DFG-out inhibitors to RET tyrosine kinaseChunxia Gao, Morten Grøtli, Leif A ErikssonJournal of Molecular Modeling|May 2, 2015
The reactivity of phenancyl bromide under β-cyclodextrin as supramolecular catalyst: a computational surveyYali Wan, Xueye Wang, Na LiuPageof 708