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A Theoretical Study on Hydrogen-Bonded Complex of Proflavine Cation and Water: The Site-dependent Feature of Hydrogen Bond Strengthening and Weakening

โœ Scribed by Qin, Zhen; Li, Xiang; Zhou, Minghui

Book ID
126916343
Publisher
Chinese Electronic Periodical Services
Year
2014
Tongue
English
Weight
399 KB
Volume
61
Category
Article
ISSN
0009-4536

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## Abstract Timeโ€dependent density functional theory (TDโ€DFT) method was used to study the excitedโ€state hydrogen bonding of three esculetin complexes formed with aprotic solvents. The geometric structures, molecular orbitals (MOs), electronic spectra and the infrared (IR) spectra of the three doub