An ab Initio Investigation of the Ground and First Two Excited Electronic States of the Difluoromethyl Radical
Author:
Affiliation:
1. Department of Chemistry, Illinois State University, Normal, Illinois 61790-4160
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0364203
Reference17 articles.
1. GAS-PHASE AND HETEROGENEOUS CHEMICAL KINETICS OF THE TROPOSPHERE AND STRATOSPHERE
2. Coupled Cluster and Second-Order Møller−Plesset Perturbation Studies of the Mechanism of the Gas-Phase Atom−Radical Reaction of Atomic Hydrogen with CF2 Radical
3. Direct ab Initio Dynamics Studies of the Hydrogen Abstraction Reactions of Hydrogen Atom with Fluoromethanes
4. A theoretical study of hydrogen and chlorine transfer reactions from fluorine- and chlorine-substituted methanes by F3C˙ radicalsElectronic supplementary information (ESI) available: Vibrational frequencies, partition functions, hindered rotational barriers, imaginary frequencies, electronic charge distributions, polarity variation and reaction enthalpies for reactants, transition structures and products. See http://www.rsc.org/suppdata/cp/b1/b110897b/
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1. Dynamics of Carbene Cycloadditions;Journal of the American Chemical Society;2011-10-19
2. Structural and dipole (hyper)polarizabilities of the ground and excited singlet states of urea and thiourea: A gas phase CIS(D) theoretical study;Journal of Computational Methods in Sciences and Engineering;2009-10-19
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