Designing of some novel molecular templates suitable for hydrogen storage applications: A theoretical approach Read More » August 17, 2026
Conceptual density functional theory (DFT) approach to all-metal aromaticity and hydrogen storage Read More » August 17, 2026
Quantitative structure-activity/property/toxicity relationships through conceptual density functional theory-based reactivity descriptors Read More » August 17, 2026
Application of conceptual density functional theory in developing QSAR models and their usefulness in the prediction of biological activity and toxicity of molecules Read More » August 17, 2026
Quantitative structure-activity/property/toxicity relationships through conceptual density functional theory-based reactivity descriptors Read More » August 17, 2026
M(L)8 complexes (M = Ca, Sr, Ba; L = PH3, PF3, N2, CO): Act of an alkaline-earth metal as a conventional transition metal Read More » August 17, 2026
Application of frustrated Lewis pairs in small molecule activation and associated transformations Read More » August 17, 2026
