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One-dimensional models of nanoliter droplet evaporation from a hot surface in the transition regime

โœ Scribed by Hanchak, Michael S.; Briones, Alejandro M.; Ervin, Jamie S.; Byrd, Larry W.

Book ID
121752580
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
1015 KB
Volume
57
Category
Article
ISSN
0017-9310

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๐Ÿ“œ SIMILAR VOLUMES

Oxygenate, oxyalkyl and alkoxycarbonyl t
Oxygenate, oxyalkyl and alkoxycarbonyl thermochemistry and rates for hydrogen abstraction from oxygenatesElectronic supplementary information (ESI) available: Supplementary Table A: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational CONSTS (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by H atom from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table B: The MP2/6-31G(d?) optimized Cartesian coordinates (in ?), the unscaled harmonic vibrational frequencies (in cm?1) and rotational constants (in GHz) at the HF/6-31G(d?) level of the transition structures involved in the abstraction by CH3 group from the methoxy, primary and secondary alkoxy, carbonyl and hydroperoxy hydrogens. Supplementary Table C: Number of minima on the one-dimensional rotational potential energy surface and the relative energies (in kcal mol?1) of minima together with the total barrier height (in kcal mol?1) for rotation around the specified bond at the HF/6-31G(d?) level. See http://www.rsc.org/suppdata/cp/b3/b307050f/
โœ Sumathi, R.; Green, Jr., William H. ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Royal Society of Chemistry ๐ŸŒ English โš– 345 KB