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Quantum wave packet study of O( 1 D )+HCl( v )→ClO( v ′)+H reaction
Author(s) -
Bulut Niyazi,
Yildiz Abdulkadir,
Gögtaş Fahrettin,
Akpinar Sinan
Publication year - 1999
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1999)73:5<425::aid-qua5>3.0.co;2-o
Subject(s) - wave packet , quantum , chemistry , range (aeronautics) , potential energy surface , schrödinger equation , atomic physics , quantum mechanics , physics , molecule , materials science , organic chemistry , composite material
Abstract We have performed quantum wave packet calculations of vibrational reaction probabilities for two‐dimensional O( 1 D )+HCl( v )→ClO( v ′)+H reaction. The time‐dependent quantum method described here allows one to compute the reaction probabilities over a broad range of collision energy from a single solution of the time‐dependent Schrödinger equation. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 73: 425–432, 1999