<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="6.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">Tsai, P.-Y.</style></author><author><style face="normal" font="default" size="100%">Lin, K.-C.</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Insight into the photodissociation dynamical feature of conventional transition state and roaming pathways by an impulsive model</style></title><secondary-title><style face="normal" font="default" size="100%">Journal of Physical Chemistry A</style></secondary-title></titles><keywords><keyword><style  face="normal" font="default" size="100%">Available energy</style></keyword><keyword><style  face="normal" font="default" size="100%">Chemical reactions</style></keyword><keyword><style  face="normal" font="default" size="100%">Conventional transitions</style></keyword><keyword><style  face="normal" font="default" size="100%">Dynamical features</style></keyword><keyword><style  face="normal" font="default" size="100%">Energy distributions</style></keyword><keyword><style  face="normal" font="default" size="100%">Energy transfer</style></keyword><keyword><style  face="normal" font="default" size="100%">Intrinsic reaction coordinate</style></keyword><keyword><style  face="normal" font="default" size="100%">Photodissociation</style></keyword><keyword><style  face="normal" font="default" size="100%">Potential energy</style></keyword><keyword><style  face="normal" font="default" size="100%">Quantum chemistry</style></keyword><keyword><style  face="normal" font="default" size="100%">Quasi-classical-trajectory calculations</style></keyword><keyword><style  face="normal" font="default" size="100%">Transitional modes</style></keyword><keyword><style  face="normal" font="default" size="100%">Vibrational modes</style></keyword></keywords><dates><year><style  face="normal" font="default" size="100%">2015</style></year></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://www.scopus.com/inward/record.uri?eid=2-s2.0-84920711908&amp;doi=10.1021%2fjp511000t&amp;partnerID=40&amp;md5=2d26546acc9acd689419fc384ad5e995</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">1</style></number><volume><style face="normal" font="default" size="100%">119</style></volume><pages><style face="normal" font="default" size="100%">29-38</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">&lt;p&gt;Without the need to construct complicated potential energy surfaces, a multicenter impulsive model is developed to characterize the dynamical feature of conventional transition state (TS) and roaming pathways in the photodissociation of formaldehyde, H2CO → CO + H2. The photofragment energy distributions (PED) resulting from the roaming mechanism are found to closely correlate to a particular configuration that lies close to the edge of the plateau-like intrinsic reaction coordinate, whereas such a PED is associated with the configuration at the saddle point when the conventional TS pathway is followed. The evaluated PED results are consistent with those by experimental findings and quasi-classical trajectory calculations. Following impulsive analysis, the roaming pathway can be viewed as a consequence of energy transfer events between several vibrational modes. For H2CO, the available energy initially accumulated at the C-H bond is transferred to other transitional mode(s) via stretching-bending coupling, and finally to the HH stretching. (Chemical Presented). © 2014 American Chemical Society.&lt;/p&gt;
</style></abstract><notes><style face="normal" font="default" size="100%">&lt;p&gt;cited By 9&lt;/p&gt;
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