Thermodynamic properties (S298, Cp(T), internal rotations and group additivity parameters) in vinyl and phenyl hydroperoxidesElectronic supplementary information (ESI) available: Internal rotation barriers, Fourier expansion coefficients for internal rotation potentials for vinyl and phenyl hydroperoxides. See http://www.rsc.org/suppdata/cp/b2/b207030h/-Reference-Cited by-同舟云学术

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Thermodynamic properties (S298, Cp(T), internal rotations and group additivity parameters) in vinyl and phenyl hydroperoxidesElectronic supplementary information (ESI) available: Internal rotation barriers, Fourier expansion coefficients for internal rotation potentials for vinyl and phenyl hydroperoxides. See http://www.rsc.org/suppdata/cp/b2/b207030h/

Published:2002-11-29 Issue:2 Volume:5 Page:300-307
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sebbar Nadia,Bockhorn Henning,Bozzelli Joseph W.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2003/CP/B207030H

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1. Efficient estimation of bond dissociation energies of organic compounds;Advances in Physical Organic Chemistry;2022

2. An extensive theoretical study on the thermochemistry of aromatic compounds: from electronic structure to group additivity values;Physical Chemistry Chemical Physics;2022

3. Automated Transition State Theory Calculations for High-Throughput Kinetics;The Journal of Physical Chemistry A;2017-09-12

4. Transition state geometry prediction using molecular group contributions;Physical Chemistry Chemical Physics;2015

5. Direct Measurements of Conformer-Dependent Reactivity of the Criegee Intermediate CH 3 CHOO;Science;2013-04-12

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