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Journal of Molecular Modeling|May 23, 2014
Theoretical study of the gas-phase thermolysis of 3-methyl-1,2,4,5-tetroxaneMariela Inés Profeta, Jorge Marcelo Romero, Nelly Lidia Jorge, et al.Journal of Molecular Modeling|May 23, 2014
Analyses of cobalt-ligand and potassium-ligand bond lengths in metalloproteins: trends and patternsNatércia F Brás, António J M Ribeiro, Marina Oliveira, et al.Journal of Molecular Modeling|January 29, 2014
First-principles study of electric field effects on the structure, decomposition mechanism, and stability of crystalline lead styphnateZhimin Li, Huisheng Huang, Tonglai Zhang, et al.Journal of Molecular Modeling|October 23, 2012
Partial activation of α7 nicotinic acetylcholine receptors: insights from molecular dynamics simulationsCaijuan Shi, Rilei Yu, Shengjuan Shao, et al.Journal of Molecular Modeling|October 24, 2012
Simulation of homology models for the extracellular domains (ECD) of ErbB3, ErbB4 and the ErbB2-ErbB3 complex in their active conformationsJuan Felipe Franco-Gonzalez, Javier Ramos, Victor L Cruz, et al.Journal of Molecular Modeling|October 24, 2012
In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivityEleonora Echegaray, Carlos Cárdenas, Sandra Rabi, et al.Journal of Molecular Modeling|February 7, 2022
Molecular dynamics study of three amino acids as corrosion inhibitor for copper in hydrochloric acid solutionX T Xu, H W Xu, Y F Cui, et al.Journal of Molecular Modeling|February 9, 2022
Effects of interlayer spacing and oxidation degree of graphene oxide nanosheets on water permeation: a molecular dynamics studyQiong Tan, Yan Fan, Zailing Song, et al.Journal of Molecular Modeling|June 25, 2014
Indigo adsorption on a silicate surface: a theoretical density functional studyCristina Iuga, C Ignacio Sainz-Díaz, Elba Ortíz, et al.Journal of Molecular Modeling|June 28, 2014
Hydrogen bonding analysis of phosphoric acid-N,N-dimethylformamide mixturesIrina V Fedorova, Liubov P Safonova, Michael G KiselevPageof 695