Cargando…
Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity
Following the pioneering investigations of Bader on the topology of molecular electron density, the topology analysis of its sister field viz. molecular electrostatic potential (MESP) was taken up by the authors’ groups. Through these studies, MESP topology emerged as a powerful tool for exploring m...
Autores principales: | Gadre, Shridhar R., Suresh, Cherumuttathu H., Mohan, Neetha |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8198923/ https://www.ncbi.nlm.nih.gov/pubmed/34072507 http://dx.doi.org/10.3390/molecules26113289 |
Ejemplares similares
-
Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy
por: Deshmukh, Milind M., et al.
Publicado: (2021) -
Interpreting Oxidative Addition of Ph–X (X
= CH(3), F, Cl, and Br) to Monoligated Pd(0) Catalysts Using Molecular Electrostatic
Potential
por: Anjali, Bai Amutha, et al.
Publicado: (2017) -
Orthogonal translation with 5‐cyanotryptophan as an infrared probe for local structural information, electrostatics, and hydrogen bonding
por: von Freiherr Sass, Georg Johannes, et al.
Publicado: (2023) -
A theoretical study of chemical bonding and topological and electrostatic properties of the anti-leprosy drug dapsone
por: Rajendran, Niranjana Devi, et al.
Publicado: (2020) -
“Anti‐Electrostatic” Halogen Bonding
por: Holthoff, Jana M., et al.
Publicado: (2020)