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• W2073025114 startingPage "747" @default.
• W2073025114 abstract "A theoretical treatment is presented for the nonadiabatic photodissociation of hydroxyl radical. Five electronic states, X 2 Π, A 2 Σ + , 1 4 Σ - , 1 2 Σ - and 1 4 Π, are included in this simulation. Based on the accurate ab initio calculations of the potential energy curves, transition dipole moments and nonadiabatic couplings between the relevant states, the dissociation dynamics are investigated using the time-dependent quantum wave packet approach. The direct dissociation, following the excitation from the specific vibrational levels of the ground state X 2 Π to the repulsive state 1 2 Σ - is examined, where the total and partial cross sections and the branching fractions of spin–orbit fine-structures of O ( 3 P J ) are calculated over a wide range of the incident photon frequencies. For the predissociation via the bound excited state A 2 Σ + , the influence of the nonadiabatic interactions in different internuclear regions and the role of the repulsive states in the dissociation starting at different vibrational levels are also analyzed through the spin–orbit branching fractions of products." @default.
• W2073025114 created "2016-06-24" @default.
• W2073025114 creator A5000729091 @default.
• W2073025114 creator A5020977029 @default.
• W2073025114 date "2011-12-01" @default.
• W2073025114 modified "2023-10-10" @default.
• W2073025114 title "A THEORETICAL ANALYSIS OF THE DISSOCIATION OF <font>OH</font> RADICAL: FINE-STRUCTURE DISTRIBUTIONS OF THE <font>O</font>(³<font>P</font>_J) PRODUCT" @default.
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• W2073025114 doi "https://doi.org/10.1142/s0219633611006803" @default.
• W2073025114 hasPublicationYear "2011" @default.
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