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Triple-Bonded Boron≡Phosphorus Molecule: Is That Possible?

[Image: see text] The effect of substitution on the potential energy surfaces of RB≡PR (R = H, F, OH, SiH(3), and CH(3)) is studied using density functional theories (M06-2X/Def2-TZVP, B3PW91/Def2-TZVP, and B3LYP/LANL2DZ+dp). There is significant theoretical evidence that RB≡PR compounds with smalle...

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Detalles Bibliográficos
Autores principales: Lu, Jia-Syun, Yang, Ming-Chung, Su, Ming-Der
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641486/
https://www.ncbi.nlm.nih.gov/pubmed/31457879
http://dx.doi.org/10.1021/acsomega.7b01480