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Journal of Molecular Modeling|February 9, 2013
A computational approach to design energetic ionic liquidsHari Ji Singh, Uttama MukherjeeJournal of Molecular Modeling|February 1, 2011
Computational study of proton and methyl cation affinities of imidazole-based highly energetic ionic liquidsHari Ji Singh, Uttama MukherjeeThe Journal of Physical Chemistry. A|March 16, 2023
Theoretical Assessment of Carbon Dioxide Reactivity in Methylpiperidines: A Conformational InvestigationUttama Mukherjee, Prabhat Prakash, Arun VenkatnathanJournal of Molecular Modeling|February 20, 2010
Ab initio studies on the reactivity of the CF3OCH 2O radical: thermal decomposition vs. reaction with O2Hari Ji Singh, Bhupesh Kumar MishraJournal of Molecular Modeling|May 22, 2010
Ab initio studies on the decomposition kinetics of CF3OCF2O radicalHari Ji Singh, Bhupesh Kumar MishraIscience|March 31, 2025
Empowering through mentorship: The journey of women in interdisciplinary scienceUttama Mukherjee, Ramya Kormath Madam Raghupathy, Minal Sachin Pednekar, et al.Journal of Molecular Modeling|October 12, 2014
Theoretical investigation on mechanism and kinetics of the Cl-initiated hydrogen abstraction reactions of ethyl trifluoroacetate at 298 KBhupesh Kumar Mishra, Hari Ji Singh, Laxmi TiwariJournal of Molecular Modeling|April 3, 2014
Theoretical studies on benzo[1,2,4]triazine-based high-energy materialsHari Ji Singh, Manish Kumar Upadhyay, Soumitra Kumar SenguptaJournal of Molecular Modeling|January 25, 2015
Nitro and dinitroamino N-oxides of octaazaanthracene as high energy materialsManish Kumar Upadhyay, Soumitra Kumar Sengupta, Hari Ji SinghJournal of Molecular Modeling|September 12, 2013
Theoretical investigation on the kinetics and branching ratio of the gas phase reaction of sevoflurane with Cl atomHari Ji Singh, Nand Kishor Gour, Pradeep Kumar Rao, et al.Pageof 1