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Penetration theory for diffusion accompanied by a reversible chemical reaction with generalized kinetics

✍ Scribed by R. M. Secor; J. A. Beutler


Publisher
American Institute of Chemical Engineers
Year
1967
Tongue
English
Weight
843 KB
Volume
13
Category
Article
ISSN
0001-1541

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## Abstract Kinetics and mechanisms for the reactions of HNO with CH~3~ and C~6~H~5~ have been investigated by ab initio molecular orbital (MO) and transition‐state theory (TST) and/or Rice‐Ramsperger‐Kassel‐Marcus/Master Equation (RRKM/ME) calculations. The G2M(RCC, MP2)//B3LYP/6‐31G(d) method was