A theoretical examination of solvatochromism and solute-solvent structuring in simple alkyl carbonyl compounds. Simulations using statistical mechanical free energy perturbation methods
DeBolt, Stephen E., Kollman, Peter A.Volume:
112
Language:
english
Journal:
Journal of the American Chemical Society
DOI:
10.1021/ja00177a010
Date:
October, 1990
File:
PDF, 1.35 MB
english, 1990