Computational modeling in enhanced CO2 and C2H2 capture on chalcogen atom (Se, Te)-decorated graphene: structural and mechanistic aspects von Kheirabadi, Ramesh, Vakili, Mohammad

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Computational modeling of the kinetics and mechanism of the new generation of glutathione peroxidase nanomimic: selenosubtilisin and tellurosubtilisin von Kheirabadi, Ramesh, Izadyar, Mohammad

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Computational modeling of the catalytic cycle of the di-chalcogenide compounds in the capture and release of carbon dioxide: effect of temperature and substitution on the catalytic... von Kheirabadi, Ramesh, Vakili, Mohammad, Morad, Razieh, Maaza, Malik

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Antioxidant activity of selenenamide-based mimic as a function of the aromatic thiols nucleophilicity, a DFT-SAPE model von Kheirabadi, Ramesh, Izadyar, Mohammad

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Computational modeling of the kinetics and mechanism of tellurium‐based glutathione peroxidase mimic von Kheirabadi, Ramesh, Izadyar, Mohammad

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Computational Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic von Kheirabadi, Ramesh, Izadyar, Mohammad

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Insight into the computational modeling and reaction mechanism of the catalytic cycle of benzyl-dichalcogenide compounds in capture and release of carbon dioxide von Vakili, Mohammad, Kheirabadi, Ramesh

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Computational Kinetic Modeling of the Catalytic Cycle of Glutathione Peroxidase Nanomimic: Effect of Nucleophilicity of Thiols on the Catalytic Activity von Kheirabadi, Ramesh, Izadyar, Mohammad, Housaindokht, Mohammad Reza

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Computational kinetic modeling of the selenol catalytic activity as the glutathione peroxidase nanomimic von Kheirabadi, Ramesh, Izadyar, Mohammad, Housiandokht, Mohammad Reza

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Computational studies of chalcogen doped on graphene vs. chalcogen doped on CNT and their role in the catalytic performance of electrochemical CO2 reduction von Vakili, Mohammad, Kheirabadi, Ramesh, Akbari, Mahmood, Morad, Razieh, Maaza, Malik

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