Symmetry Breaking of B(2)N((−, 0, +)): An Aspect of the Electric Potential and Atomic Charges

In this study, the three forms of B(2)N((−, 0, +))—radical, anion and cation—have been compared in terms of electric potential and atomic charges, ESP, rather than the well-known cut of the potential energy surface (PES). We have realized that the double minimum of the BNB radical is related to the...

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Detalles Bibliográficos
Autores principales: Monajjemi, Majid, Bagheri, Samira, Moosavi, Matin S., Moradiyeh, Nahid, Zakeri, Mina, Attarikhasraghi, Naime, Saghayimarouf, Nastaran, Niyatzadeh, Ghorban, Shekarkhand, Marzie, Khalilimofrad, Mohammad S., Ahmadin, Hashem, Ahadi, Maryam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332421/
https://www.ncbi.nlm.nih.gov/pubmed/26633353
http://dx.doi.org/10.3390/molecules201219769

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