Semiclassical simulation of photochemical reactions in condensed phase

Journal of Molecular Structure: THEOCHEM

Volumn 621, Issue 1-2, 2003, Pages 119-126

  Persico, Maurizio ^a   Granucci, Giovanni ^a   Inglese, Silvia ^a   Laino, Teodoro ^a   Toniolo, Alessandro ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

Condensed state photochemistry simulations; Nonadiabatic dynamics; Quantum mechanics molecular mechanics hybrid methods; Semiempirical methods; Surface hopping

Indexed keywords

ADSORBENT; SOLVENT;

CALCULATION; CONFERENCE PAPER; ELECTRIC POTENTIAL; ELECTRONICS; ENERGY; GEOMETRY; HYBRID; LIQUID; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHOTOCHEMISTRY; PHOTOREACTIVITY; POLYMERIZATION; QUANTUM MECHANICS; REACTION ANALYSIS; SIMULATION; SOLUTE;

EID: 0037415479     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00540-7     Document Type: Conference Paper

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