Article ID Journal Published Year Pages File Type
5381497 Chemical Physics Letters 2013 5 Pages PDF
Abstract

- Novel form of solvatochromic shifts for electronic spectra are proposed.
- The lowest n → π∗ and π∗ → n transitions for acrolein in water are calculated.
- The contributions to the shift are discussed.
- Electrostatic polarization is found to be crucial for electronic spectra.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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