Reversible work transition state theory: application to dissociative adsorption of hydrogen
نویسندگان
چکیده
منابع مشابه
Application to Dissociative Adsorption of Hydrogen
A practical method for finding free energy barriers for transitions in high-dimensional classical and quantum systems is presented and used to calculate the dissociative sticking probability of H 2 on a metal surface within transition state theory. The reversible work involved in shifting the system confined to a hyperplane from the reactant region towards products is evaluated directly. Quantu...
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T. Yildirim,1,* Jorge Íñiguez,2 and S. Ciraci3 1NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA 2Institut de Ciéncia de Materials de Barcelona (CSIC), Campus UAB, 08193 Bellaterra, Barcelona, Spain 3Physics Department, Bilkent University, 06800 Bilkent, Ankara, Turkey Received 3 May 2005; revised manuscript received 23 May 2005...
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ژورنال
عنوان ژورنال: Surface Science
سال: 1995
ISSN: 0039-6028
DOI: 10.1016/0039-6028(94)00731-4