Photoinduced nonadiabatic dynamics of pyrimidine nucleobases: On-the-fly surface-hopping study with semiempirical methods

Journal of Physical Chemistry B

Volumn 113, Issue 11, 2009, Pages 3548-3555

  Lan, Zhenggang ^a   Fabiano, Eduardo ^a   Thiel, Walter ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; PHOTOELECTRON SPECTROSCOPY; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE RELAXATION;

CONICAL INTERSECTIONS; DE EXCITATIONS; ENERGY MINIMUM; EXCITED SINGLET STATE; GEOMETRY OPTIMIZATIONS; INTERNAL CONVERSIONS; MOLECULAR DYNAMICS SIMULATIONS; NON-ADIABATIC DYNAMICS; NUCLEOBASES; ON THE FLIES; OPTICALLY ACTIVES; PHOTO-INDUCED; RELAXATION DYNAMICS; RELAXATION MECHANISMS; SEMI-EMPIRICAL; SEMI-EMPIRICAL METHODS; TIME-RESOLVED PHOTOELECTRON SPECTROSCOPIES; ULTRA FASTS;

DYNAMICS;

EID: 65249092052     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp809085h     Document Type: Article

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