Grignard reagents in solution: Theoretical study of the equilibria and the reaction with a carbonyl compound in diethyl ether solvent

Journal of Physical Chemistry A

Volumn 113, Issue 21, 2009, Pages 6158-6165

  Mori, Toshifumi ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALIPHATIC KETONES; BARRIER HEIGHTS; BULK SOLVENTS; CARBONYL COMPOUNDS; CLUSTER MODELS; CYCLIC DIMERS; DIETHYL ETHERS; DIETHYL-ETHER SOLVENT; ENERGY GRADIENTS; ENERGY PROFILE; GRIGNARD REAGENT; QUANTUM MECHANICAL REGIONS; REACTION MECHANISM; REACTION PATHS; REFERENCE INTERACTION SITE MODELS; SECOND ORDERS; SELF-CONSISTENT FIELD METHOD; SOLVATION STRUCTURE; SOLVENT MOLECULES; THEORETICAL STUDY;

ACETONE; CARBONYLATION; ETHERS; FREE ENERGY; GRADIENT METHODS; ORGANIC COMPOUNDS;

SOLVENTS;

EID: 66249104333     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9009788     Document Type: Article

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