A B3LYP and MP2(full) theoretical investigation into cooperativity effects, aromaticity and thermodynamic properties in the Na+⋯benzonitrile⋯H2O ternary complex
Guang-ming Zhao,Yu-cun Liu,Wen-jing Shi,Tao Chai…Volume:
20
Language:
english
Journal:
Journal of Molecular Modeling
DOI:
10.1007/s00894-014-2341-2
Date:
July, 2014
File:
PDF, 941 KB
english, 2014