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Journal of Molecular Graphics & Modelling|May 25, 2018
Balanced design for the feasible super rocket fuels: A first-principle study on gauche CHN7 and CHN3Tao Yu, Maohua Lin, Bo Wu, et al.Journal of Molecular Graphics & Modelling|May 27, 2019
Perceptions on the adsorption of COPD biomarker vapors on violet phosphorene nanosheet - A first-principles studyS Dharani, V Nagarajan, R ChandiramouliJournal of Molecular Graphics & Modelling|September 27, 2017
Regression model for predicting pathogenic properties of SOD1 mutants based on the analysis of conformational stability and conservation of hydrogen bondsNikolay A Alemasov, Nikita V Ivanisenko, Vladimir A IvanisenkoJournal of Molecular Graphics & Modelling|November 26, 2018
Understanding the kinetics and molecular mechanism of unimolecular gas phase thermal decomposition of the α-ketoester methyl benzoylformate using RRKM and BET theoriesVahid Keley, Ehsan ZahediJournal of Molecular Graphics & Modelling|December 14, 2019
Exploring adsorption behavior of ethylene dichloride and dibromide vapors on blue phosphorene nanosheets: A first-principles acumensJ Princy Maria, R Bhuvaneswari, V Nagarajan, et al.Journal of Molecular Graphics & Modelling|June 26, 2021
Quantum chemical calculations on dissolution of dimethylformamide in ethalinePayam Kalhor, Ommolbanin Yarivand, Kumars Seifpanahi-ShabaniJournal of Molecular Graphics & Modelling|May 27, 2022
Identifying highly effective coumarin-based novel cholinesterase inhibitors by in silico and in vitro studiesFerah Comert Onder, Kader Sahin, Murat Senturk, et al.Journal of Molecular Graphics & Modelling|May 15, 2022
Metals doped carbon nanotubes and carbon nanocages (Co2-CNT(8, 0) and Sc2-C78) as catalysts of ORR in fuel cellsZhongyang Liu, Cunhong Li, Reza MarzaviJournal of Molecular Graphics & Modelling|January 8, 2018
Mechanism and origins of the regioselectivity in the [3+2] cycloaddition reaction of an azomethine ylide with benzoimidazole-2-yl-3-phenylacrilonitrile: A DFT approachMahshid Hamzehloueian, Zakieh DavariJournal of Molecular Graphics & Modelling|January 10, 2018
Exploring the association of rs10490924 polymorphism with age-related macular degeneration: An in silico approachFarhad Jahanfar, Hamed HamishehkarPageof 408