Cover Image, Volume 36, Issue 18 | Zendy

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Cover Image, Volume 36, Issue 18

Publication year - 2015

Publication title -

journal of computational chemistry

Language(s) - English

Resource type - Reports

SCImago Journal Rank - 0.907

H-Index - 188

eISSN - 1096-987X

pISSN - 0192-8651

DOI - 10.1002/jcc.23959

Subject(s) - halogen , cover (algebra) , volume (thermodynamics) , crystallography , atom (system on chip) , citation , chemistry , physics , computer science , library science , quantum mechanics , engineering , mechanical engineering , alkyl , organic chemistry , embedded system

On page 1349 (DOI: 10.1002/jcc.23922 ), Wei Li, Yanli Zeng, Xiaoyan Li, Zheng Sun, and Lingpeng Meng designed the complexes OPH 3 NCX, NCY OPH 3 NCX, and OPH 3 NCX NCY (X, Y = F, Cl, Br) to investigate the enhancing effects of Y O and X N halogen bonds on the P N Group V σ‐hole interaction. The Y O halogen bonds affect the σ‐hole region (decreased density region) outside the phosphorus atom more than the P N internuclear region (increased density region outside the nitrogen atom), while it is contrary for the X N halogen bonds.

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