Are water-aromatic complexes always stabilized due to π-H interactions? LMP2 study

International Journal of Quantum Chemistry

Volumn 104, Issue 3, 2005, Pages 335-341

  Reyes, Abraham ^a   Fomina, Lioudmila ^a   Rumsh, Lev ^b   Fomine, Serguei ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

^b SHEMYAKIN OVCHINNIKOV INSTITUTE OF BIOORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Ab initio calculations; Computer chemistry; LMP2 calculations; Noncovalent interactions

Indexed keywords

AB INITIO CALCULATIONS; COMPUTER CHEMISTRY; LMP2 CALCULATIONS; NONCOVALENT INTERACTIONS;

AROMATIC HYDROCARBONS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; MOLECULES; STABILIZATION; SUBSTITUTION REACTIONS;

COMPLEXATION;

EID: 23844505323     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20558     Document Type: Article

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