Monte Carlo Quantum Mechanical-Configuration Interaction and Molecular Mechanics Simulation of Solvent Effects on the n .fwdarw. .pi.* Blue Shift of Acetone
- 1 October 1994
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 116 (20) , 9324-9328
- https://doi.org/10.1021/ja00099a059
Abstract
No abstract availableKeywords
This publication has 2 references indexed in Scilit:
- Generalized self-consistent reaction field theory in a multicenter-multipole ab-initio LCGO framework. I. Electronic properties of the water molecule in a Monte Carlo sample of liquid water molecules studied with standard basis setsJournal de Chimie Physique et de Physico-Chimie Biologique, 1990
- Solvent-Shift Effects on Electronic Spectra and Excited-State Dipole Moments and PolarizabilitiesPublished by Elsevier ,1973