Monomeric adenine decay dynamics influenced by the DNA environment

Journal of Computational Chemistry

Volumn 33, Issue 13, 2012, Pages 1225-1235

  Lu, You ^a   Lan, Zhenggang ^b   Thiel, Walter ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^b QINGDAO INSTITUTE OF BIOENERGY AND BIOPROCESS TECHNOLOGY   (China)

Author keywords

DNA; fluorescence; hydrogen bond; nonadiabatic coupling; surface hopping

Indexed keywords

DYNAMICS; FLUORESCENCE; HYDROGEN BONDS; OLIGOMERS;

AQUEOUS PHASE; CONICAL INTERSECTION; CURRENT MODELS; DECAY DYNAMICS; DECAY TIME; DNA OLIGOMERS; DNA STRANDS; DYNAMICS SIMULATION; ELECTRONIC EFFECTS; EXPERIMENTAL OBSERVATION; FLUORESCENCE SPECTRA; HYDROGEN BONDING INTERACTIONS; MODEL SYSTEM; NON-ADIABATIC COUPLING; ON-THE-FLY; OPTIMIZED GEOMETRIES; PICOSECONDS; RELATIVE ENERGIES; STERIC HINDRANCES; SURFACE HOPPING; TIME CONSTANTS; TIME-DEPENDENT; WATSON-CRICK PAIRS;

DNA;

ADENINE; DNA;

CHEMISTRY; CONFORMATION; HYDROGEN BOND; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMICS;

ADENINE; DNA; HYDROGEN BONDING; MOLECULAR DYNAMICS SIMULATION; NUCLEIC ACID CONFORMATION; QUANTUM THEORY; THERMODYNAMICS;

EID: 84962376841     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.22952     Document Type: Article

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