Simulación, Caracterización y Evolución de Materiales
FQM166
Indian Institute of Technology Kharagpur
Kharagpur, IndiaPublicaciones en colaboración con investigadores/as de Indian Institute of Technology Kharagpur (3)
2023
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Local reactivity descriptors of the important atoms in chelotropic reactions provide insight into their global variants along the reaction path
International Journal of Quantum Chemistry, Vol. 123, Núm. 15
2020
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A conceptual DFT analysis of the plausible mechanism of some pericyclic reactions
Structural Chemistry, Vol. 31, Núm. 5, pp. 1745-1756
2018
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Analyzing torquoselectivity in a series of unusual ring-opening reactions through bond reactivity indices and the adaptive natural density partitioning method
International Journal of Quantum Chemistry, Vol. 118, Núm. 23