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Interpretation and temperature dependence of the energy of activation for the reactions H + Cl2, H2 + I, H + H2, and isotopic analogs

โœ Scribed by Donald G. Truhlar; Joni C. Gray

Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
570 KB
Volume
57
Category
Article
ISSN
0009-2614

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๐Ÿ“œ SIMILAR VOLUMES

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The H + HCI potential surfaces for both reaction LhJnnel.S are calculated by a modlied dlatormcs-m-molecules method mcludmg three-center molecular Integrals Usmg the same adjustable parameters as for the FH2 system, we obtam barner heights of 5.2 kcal/mole (abstractlon) and J 4.2 kcal/moIe (exchange

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The lempernwre dependence OT the raw constant for the rcacrions H2( L: -l)+D and H2(u =l)+H was smdied using a flow-lube method combined with EPR and lhermome[ric techniques. The rale cons~an~s (in cm3/molecule s) were round LO be ## k~=(2.3~1.3)x10-'0exp[-(32W~6DO)/RT ]. ~~=(1~0\_5)X10~'"exp[-(3