Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings

The results of harmonic and anharmonic frequency calculations on a guanine-cytosine complex with an enolic structure (a tautomeric form with cytosine in the enol form and with a hydrogen at the 7-position on guanine) are presented and compared to gas-phase IR-UV double resonance spectral data. Harmo...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2005-08, Vol.109 (31), p.6974
Hauptverfasser:	Brauer, Brina, Gerber, R Benny, Kabelác, Martin, Hobza, Pavel, Bakker, Joost M, Abo Riziq, Ali G, de Vries, Mattanjah S
Format:	Artikel
Sprache:	eng
Schlagworte:	Base Pairing Computer Simulation Cytosine - chemistry Guanine - chemistry Models, Molecular Molecular Structure Quantum Theory Spectrophotometry, Infrared Vibration
Online-Zugang:	Volltext
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