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Additivity of Cation−π Interactions: An ab Initio Computational Study on π−Cation−π Sandwich Complexes

Authors :
Tong Liu
Jiandu Gu
Xiaomin Luo
Gang Chen
Weiliang Zhu
Chum Mok Puah
Joel L. Sussman
Jianhua Shen
Kaixian Chen
Hua-Liang Jiang
Israel Silman
Source :
The Journal of Physical Chemistry A. 108:9400-9405
Publication Year :
2004
Publisher :
American Chemical Society (ACS), 2004.

Abstract

The π−cation−π interaction between a cation or a cationic group and several aromatic residues, although rather prevalent in biological systems, has not been studied theoretically. The ab initio MP2...

Details

ISSN :
15205215 and 10895639
Volume :
108
Database :
OpenAIRE
Journal :
The Journal of Physical Chemistry A
Accession number :
edsair.doi...........e9ee224555559a0ce12a7de60c77903e
Full Text :
https://doi.org/10.1021/jp0476850