M
Mohammad Qasim
Researcher at United States Department of the Army
Publications - 25
Citations - 572
Mohammad Qasim is an academic researcher from United States Department of the Army. The author has contributed to research in topics: Molecule & Pyrazine. The author has an hindex of 13, co-authored 24 publications receiving 512 citations. Previous affiliations of Mohammad Qasim include Jackson State University & United States Army Corps of Engineers.
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An analysis of stable forms of CL-20: A DFT study of conformational transitions, infrared and Raman spectra
Yana Kholod,Sergiy I. Okovytyy,G.M. Kuramshina,Mohammad Qasim,Leonid Gorb,Leonid Gorb,Jerzy Leszczynski +6 more
TL;DR: The most stable forms of 2,4,6,8,10,12-hexanitro-2,4-6, 8, 10, 12-hexaazaisowurtzitane (CL-20) were analyzed at the B3LYP/6-31G+(d,p) level of theory and the activation energies of those transitions were found to be quite low and lie in the range 1.2-4.0 ǫ −1.
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The mechanism of unimolecular decomposition of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. A computational DFT study.
TL;DR: On the basis of the results of computation scanning of the potential energy surface, the most favorite pathway of CL-20 unimolecular decomposition that results in the formation of the stable aromatic compound 1, 5-dihydrodiimidazo[4,5-b:4',5'-e]pyrazine has been proposed.
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One-electron standard reduction potentials of nitroaromatic and cyclic nitramine explosives.
Minori Uchimiya,Leonid Gorb,Oleksandr Isayev,Mohammad Qasim,Jerzy Leszczynski,Jerzy Leszczynski +5 more
TL;DR: The observed trend in Eo(R- NO2/R-NO2-) agrees with reported rate trends for reductive degradation, suggesting a thermodynamic control on the reduction rate under anoxic/suboxic conditions.
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The effect of nitroaromatics' composition on their toxicity in vivo: novel, efficient non-additive 1D QSAR analysis.
Victor E. Kuz’min,Victor E. Kuz’min,Eugene N. Muratov,Eugene N. Muratov,Anatoly G. Artemenko,Leonid Gorb,Leonid Gorb,Mohammad Qasim,Jerzy Leszczynski,Jerzy Leszczynski +9 more
TL;DR: The results of 1D QSAR analysis show that even the information about the composition of molecules provides the main trends of toxicity changes, allowing combine advantages of such approaches and develop adequate consensus model that can be used as a toxicity virtual screening tool.
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The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study.
Victor E. Kuz’min,Victor E. Kuz’min,Eugene N. Muratov,Eugene N. Muratov,Anatoly G. Artemenko,Leonid Gorb,Leonid Gorb,Mohammad Qasim,Jerzy Leszczynski +8 more
TL;DR: The present study applies the Hierarchical Technology for Quantitative Structure–Activity Relationships (HiT QSAR) for evaluation of the influence of the characteristics of 28 nitroaromatic compounds as to their toxicity and prediction of toxicity for new nitroARomatic derivatives.