Article ID Journal Published Year Pages File Type
5391741 Chemical Physics Letters 2007 5 Pages PDF
Abstract
The B3LYP/6-31+G(d, p) and TD B3LYP/6-31+G(d, p) calculations were applied to predict ground- and excited-state intramolecular proton transfer (GSIPT and ESIPT) of alkannin.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Theoretical studies on structure, energetic and intramolecular proton transfer of alkannin
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