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Journal of Molecular Modeling|January 21, 2026
Molecular design and theoretical assessment of high-energy tetrazole-nitropyrazole compounds: balancing performance and safety with tetracyclic frameworkSagrika Kashyap, Kalpana Sharma, Renu Rani, et al.Inorganic Chemistry|August 2, 2024
Symmetric Refunctionalization of Diaminodinitropyrazine with Hydrazine and Aminotetrazole: Strategy for Enhancing Detonation Performance and Safety in Energetic MaterialsAbhishek Kumar Yadav, Sonali Kukreja, Sagar Nehe, et al.The Journal of Physical Chemistry. A|August 29, 2012
Computational studies on energetic properties of trinitro-substituted imidazole-triazole and pyrazole-triazole derivativesVikas D GhuleOrganic & Biomolecular Chemistry|June 29, 2026
Single-step synthesis of 3,5-diazido-1,2,4-triazole: environmentally benign high-performance primary explosivesSagar Nehe, Srinivas DharavathJournal of Molecular Modeling|June 21, 2018
Assessment of density prediction methods based on molecular surface electrostatic potentialAyushi Nirwan, Alka Devi, Vikas D GhuleThe Journal of Chemical Physics|May 10, 2013
Pressure induced structural phase transition in solid oxidizer KClO3: a first-principles studyN Yedukondalu, Vikas D Ghule, G VaitheeswaranJournal of Molecular Modeling|September 16, 2019
Theoretical determination of the effects of various linkages between trinitrobenzenes on energetic properties and sensitivityAyushi Nirwan, Alka Devi, Vikas D GhuleACS Omega|June 9, 2025
Enthalpy of Formation of the Energetic Materials Possessing Dinitromethyl and Trinitromethyl Functional Groups: Combined Quantum Chemical Composite and Isodesmic Reaction ApproachRimpi Devi, Kalpana Sharma, Vikas D GhuleChemical Communications (Cambridge, England)|October 6, 2025
Shaping the future of energetic materials: breakthroughs, barriers, and emerging frontiersAbhishek Kumar Yadav, Srinivas DharavathOrganic Letters|September 4, 2024
Enzyme-Catalyzed Regioselective Synthesis of 4-Hetero-Functionalized 1,5-Disubstituted 1,2,3-TriazolesNavaneet Kumar, Atul KumarPageof 9