@article {Tsai201529,
	title = {Insight into the photodissociation dynamical feature of conventional transition state and roaming pathways by an impulsive model},
	journal = {Journal of Physical Chemistry A},
	volume = {119},
	number = {1},
	year = {2015},
	note = {<p>cited By 9</p>
},
	pages = {29-38},
	abstract = {<p>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 {\textrightarrow} 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). {\textcopyright} 2014 American Chemical Society.</p>
},
	keywords = {Available energy, Chemical reactions, Conventional transitions, Dynamical features, Energy distributions, Energy transfer, Intrinsic reaction coordinate, Photodissociation, Potential energy, Quantum chemistry, Quasi-classical-trajectory calculations, Transitional modes, Vibrational modes},
	doi = {10.1021/jp511000t},
	url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84920711908\&doi=10.1021\%2fjp511000t\&partnerID=40\&md5=2d26546acc9acd689419fc384ad5e995},
	author = {Tsai, P.-Y. and Lin, K.-C.}
}
