THEORETICAL STUDIES OF ANHARMONIC EFFECT IN THE RICE–RAMSPERGER–KASSEL–MARCUS THEORY
2008 ◽
Vol 22
(31)
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pp. 3043-3052
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The purpose of this paper is to propose a theoretical approach, which can evaluate anharmonic effects on the rate constants within the transition state theory. In treating unimolecular reactions under collision-free conditions by using the RRKM theory, we make use of the inverse Laplace transformation of the partition functions to obtain both the total number of states for the activated complex and density of states for the reactant with the Morse oscillator potential. To demonstrate the applications of our theoretical approach, we choose some model systems and a real reaction as examples.
2018 ◽
1997 ◽
Vol 107
(15)
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pp. 5811-5814
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1957 ◽
Vol 79
(8)
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pp. 1804-1807
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2008 ◽
Vol 20
(24)
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pp. 244134
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Keyword(s):
2018 ◽
1998 ◽
Vol 102
(42)
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pp. 8104-8115
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1979 ◽
Vol 83
(14)
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pp. 1915-1924
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Keyword(s):
2019 ◽
Vol 150
(10)
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pp. 104107
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