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Intriguing Electrostatic Potential of CO: Negative Bond-ends and Positive Bond-cylindrical-surface

The strong electronegativity of O dictates that the ground state of singlet CO has positively charged C and negatively charged O, in agreement with ab initio charge analysis, but in disagreement with the dipole direction. Though this unusual phenomenon has been fairly studied, the study of electrost...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Kim, Hahn, Doan, Van Dung, Cho, Woo Jong, Valero, Rosendo, Aliakbar Tehrani, Zahra, Madridejos, Jenica Marie L., Kim, Kwang S.
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4635358/
https://ncbi.nlm.nih.gov/pubmed/26542890
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep16307
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