Analytical RISM-MP2 free energy gradient method: Application to the Schlenk equilibrium of Grignard reagent

Chemical Physics Letters

Volumn 437, Issue 1-3, 2007, Pages 159-163

  Mori, Toshifumi ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ETHERS; FREE ENERGY; GRADIENT METHODS; ORGANIC SOLVENTS;

DIMETHYLETHER SOLVENTS; ELECTRON CORRELATIONS; ENERGY GRADIENT METHODS; GRIGNARD REAGENTS;

ORGANOMETALLICS;

EID: 33847271076     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.02.018     Document Type: Article

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