Symmetry Breaking of B2N(−, 0, +): An Aspect of the Electric Potential and Atomic Charges

Autor: Majid Monajjemi, Samira Bagheri, Matin S. Moosavi, Nahid Moradiyeh, Mina Zakeri, Naime Attarikhasraghi, Nastaran Saghayimarouf, Ghorban Niyatzadeh, Marzie Shekarkhand, Mohammad S. Khalilimofrad, Hashem Ahmadin, Maryam Ahadi

Publikováno v: Molecules, Vol 20, Iss 12, Pp 21636-21657 (2015)

In this study, the three forms of B2N(−, 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

Externí odkaz: https://doaj.org/article/8fe6c18d30f14f5b8652dd1e2a7b93aa

Symmetry Breaking of B2N(−, 0, +): An Aspect of the Electric Potential and Atomic Charges

Autor: Nahid Moradiyeh, Ghorban Niyatzadeh, Hashem Ahmadin, Marzie Shekarkhand, Nastaran Saghayimarouf, Majid Monajjemi, Maryam Ahadi, Samira Bagheri, Matin S. Moosavi, Naime Attarikhasraghi, Mina Zakeri, Mohammad S. Khalilimofrad

Publikováno v: Molecules
Volume 20
Issue 12
Pages 21636-21657
Molecules; Volume 20; Issue 12; Pages: 21636-21657
Molecules, Vol 20, Iss 12, Pp 21636-21657 (2015)

In this study, the three forms of B2N(−, 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

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a7102e995c066661cd8035faf9bcd43