Theoretical investigation on the oxazaborolidine-ketone interaction in small model systems

Theoretical Chemistry Accounts

Volumn 111, Issue 2-6, 2004, Pages 287-302

  Alagona, Giuliano ^a   Ghio, Caterina ^a   Tomasi, Simone ^b  

^a AREA DELLA RICERCA   (Italy)

^b UNIVERSITY OF PISA   (Italy)

Author keywords

Ab initio DFT; Association energy; BSSE; Deformation energy; THF solvation

Indexed keywords

ACETONE; BORON; KETONE DERIVATIVE; LEWIS ACID; OXAZABOROLIDINE DERIVATIVE; TETRAHYDROFURAN;

ARTICLE; CALCULATION; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY; ELECTRICITY; ELECTRON; ENERGY; REACTION ANALYSIS; REDUCTION; THEORETICAL STUDY;

EID: 2442612661     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0538-z     Document Type: Article

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