A multiconfiguration self-consistent field/molecular dynamics study of the (n→π*)1 transition of carbonyl compounds in liquid water
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1308283
Reference61 articles.
1. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent
2. Liquid-State Quantum Chemistry: Computational Applications of the Polarizable Continuum Models
3. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
4. Invited review solvatochromic shifts: The influence of the medium on the energy of electronic states
5. On the n-.pi.* blue shift accompanying solvation
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