Mechanisms of photostability in kynurenines: A joint electronic-structure and dynamics study

Journal of Physical Chemistry B

Volumn 119, Issue 6, 2015, Pages 2112-2124

  Tuna, Deniz ^a,d   Došlić, Naęa ^b   Mališ, Momir ^b   Sobolewski, Andrzej L ^c   Domcke, Wolfgang ^a  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b RUDER BO KOVI INSTITUTE   (Croatia)

^c INSTITUTE OF PHYSICS   (Poland)

^d MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; ELECTRONIC STRUCTURE; HYDROGEN BONDS; MOLECULAR DYNAMICS; POTENTIAL ENERGY; PROTON TRANSFER; RADIATION DAMAGE; REACTION KINETICS;

AB INITIO INVESTIGATION; ELECTRONIC STRUCTURE CALCULATIONS; EXCITED STATE REACTIONS; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL ENERGY PROFILES; PROTON TRANSFER PROCESS; STRUCTURE AND DYNAMICS; TRAJECTORY SURFACE HOPPING;

EXCITED STATES;

3-HYDROXYKYNURENINE; GLUCOSIDE; KYNURENINE; PROTON;

ANALOGS AND DERIVATIVES; CHEMISTRY; CONFORMATION; DRUG STABILITY; ELECTRON; HYDROGEN BOND; MOLECULAR DYNAMICS; PHOTOCHEMISTRY; STEREOISOMERISM;

DRUG STABILITY; ELECTRONS; GLUCOSIDES; HYDROGEN BONDING; KYNURENINE; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; PHOTOCHEMICAL PROCESSES; PROTONS; STEREOISOMERISM;

EID: 84922813505     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp501782v     Document Type: Article

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