Photochemical reactions of the low-lying excited states of formaldehyde: T 1 / S 0 intersystem crossings, characteristics of the S 1 and T 1 potential energy surfaces, and a global T 1 potential energy surface

Journal of Chemical Physics

Volumn 130, Issue 11, 2009, Pages

  Zhang, Peng ^a,c   Maeda, Satoshi ^a   Morokuma, Keiji ^a,b   Braams, Bastiaan J ^a  

^a EMORY UNIVERSITY   (United States)

^b KYOTO UNIVERSITY   (Japan)

^c HARVARD SMITHSONIAN CENTER FOR ASTROPHYSICS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO CALCULATIONS; CRITICAL POINTS; DISSOCIATION PATHWAYS; FITTING ERRORS; GLOBAL FUNCTIONS; GLOBAL MINIMUM; HIGH ENERGIES; HIGH QUALITIES; INTER-NUCLEAR DISTANCES; INTERSYSTEM CROSSINGS; LOW-LYING EXCITED STATE; MANY-BODY EXPANSIONS; MULTIREFERENCE CONFIGURATION INTERACTION METHODS; NON-ADIABATIC; NON-ADIABATIC TRANSITIONS; ROOT MEAN SQUARES; SPIN-ORBIT INTERACTIONS; TRANSITION STATE; WEIGHTED LEAST-SQUARES;

DISSOCIATION; ELECTRON TRANSITIONS; EQUATIONS OF STATE; EXCITED STATES; FORMALDEHYDE; ISOMERIZATION; ISOMERS; PHOTOCHEMICAL REACTIONS; PHOTOLYSIS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SULFUR COMPOUNDS; SURFACE PHENOMENA;

POTENTIAL ENERGY;

EID: 63149197787     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3085952     Document Type: Article

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