QM/MM lineshape simulation of the hydrogen-bonded uracil NH stretching vibration of the adenine:uracil base pair in CDCl3

Chemical Physics Letters

Volumn 464, Issue 4-6, 2008, Pages 230-234

  Yan, Yun an ^a   Krishnan, Gireesh M ^a   Kühn, Oliver ^b  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; COMPLEXATION; CORRELATION METHODS; DYNAMICS; FORMING; GALLIUM ALLOYS; HYDROGEN; HYDROGEN BONDS; INFRARED SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NANOFLUIDICS; QUANTUM CHEMISTRY; STRETCHING; TRAJECTORIES;

BASE PAIRS; CORRELATION FUNCTIONS; EMPIRICAL CORRELATIONS; EXPERIMENTAL DATA; HYBRID CARS; HYDROGEN-BOND GEOMETRY; INFRA-RED ABSORPTION SPECTRA; LINE SHAPES; MOLECULAR DYNAMICS SIMULATION; MULTI MODES; OSCILLATOR MODELS; REASONABLE AGREEMENT; ROOM TEMPERATURES; STRETCHING FREQUENCIES; STRETCHING VIBRATIONS; TIME DEPENDENCES; TRANSITION FREQUENCIES; WATSON-CRICK BASE PAIRS;

ABSORPTION SPECTROSCOPY;

EID: 53549126889     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.09.024     Document Type: Article

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