Insight into the Effects of Electrostatic Potentials on the Conversion Mechanism of the Hydrogen-Bonded Complexes and Carbon-Bonded Complexes: An Ab Initio and Quantum Theory of “Atoms in Molecules” Investigation

[Image: see text] Carbon bond and hydrogen bond are common noncovalent interactions; although recent advances on these interactions have been achieved in both the experimental and computational aspects, little is known about the conversion mechanism between them. Here, MP2 calculations with aug-cc-p...

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Detalles Bibliográficos
Autores principales: Chu, Runtian, Zeng, Yanli, Liu, Mengyu, Zheng, Shijun, Meng, Lingpeng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648873/
https://www.ncbi.nlm.nih.gov/pubmed/31459327
http://dx.doi.org/10.1021/acsomega.8b02669

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648873/
https://www.ncbi.nlm.nih.gov/pubmed/31459327
http://dx.doi.org/10.1021/acsomega.8b02669

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