Article ID Journal Published Year Pages File Type
5391832 Chemical Physics Letters 2006 6 Pages PDF
Abstract
A theoretical study of the vertical electronic excitation energies of the alanine zwitterion in an aqueous environment is presented. The study is based on calculations using the combined coupled cluster/molecular mechanics method. The theoretical UV spectrum is found to be in good agreement with experimental findings.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The electronic spectrum of the micro-solvated alanine zwitterion calculated using the combined coupled cluster/molecular mechanics method
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