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Quasiclassical trajectory calculations for H + H2 (ν = 1) on a new potential energy surface

✍ Scribed by H.R. Mayne

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
551 KB
Volume
66
Category
Article
ISSN
0009-2614

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✦ Synopsis

QuasicL~asiccll tmjcctor> c.dlculatiom for the II + Hz reaction xtiirh vibr~tton.dly evzired molecules haxe been carried out on the Porter-K.!rpIus (PI;) .md the nccur.~te Sie~bnhn-Liu-TnthlJr-lforo~~itz GLTH) potential surfaces. Agreement Bith other cakulations for the PK wrfxr IS good_ The vIbrational relaxation rnte consrant for the SLTH surface is some-\that loser thorn that found e~pcrtment~l1~ ; the tot4 rexrive rare constant is considerably smzdler than e_xperiment

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