ISSN:
0020-7608
Schlagwort(e):
semiempirical calculations
;
solvent effects
;
Mannich reaction
;
reaction mechanism
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
The potential energy surface for the reaction of furan and methyleneimminium cation with formation of a Mannich base has been studied using AM1 and PM3 semiempirical calculations. Nonspecific solvent effects were taken account of in the framework of the multicavity self-consistent reaction field approach. Characteristics of the reaction path elucidated for various media are discussed. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 67: 359-366, 1998
Zusätzliches Material:
2 Ill.
Materialart:
Digitale Medien
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