Tautomerization, Solvent Effect and Binding Interaction on Vibrational Spectra of Adenine–Ag+ Complexes on Silver Surfaces: A DFT Study

Authors :: Rong Huang
Liu-Bin Zhao
De-Yin Wu
Zhong-Qun Tian
Source :: The Journal of Physical Chemistry C. 115:13739-13750
Publication Year :: 2011
Publisher :: American Chemical Society (ACS), 2011.
Abstract: NSF of China[20973143, 21021002, 91027009]; National Basic Research Programs[2007CB815303, 2009CB930703]; Xiamen University[2010121020]; HPC of Xiamen University

Subjects :: General Energy
Computational chemistry
Basic research
Chemistry
Ab initio
Infrared spectroscopy
Density functional theory
Physical and Theoretical Chemistry
Solvent effects
Tautomer
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Vibrational spectra

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