Benzyne Thermochemistry: A Benchmark ab Initio Study-Reference-Cited by-同舟云学术

Benzyne Thermochemistry: A Benchmark ab Initio Study

Published:1999-11-13 Issue:48 Volume:103 Page:9913-9920
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lindh Roland¹,Bernhardsson Anders¹,Schütz Martin¹

Affiliation:

1. Departments of Chemical Physics and Theoretical Chemistry, Chemical Center, P.O. Box 124, S-221 00 Lund, Sweden, and Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp991919b

Reference41 articles.

1. Equilibrium geometries and relative energies of the lowest singlet and triplet states of o-, m-, and p-benzyne

2. Comparison of biradical formation between enediyne and enyne-allene. Ab initio CASSCF and MRSDCI study

3. Ortho-, meta-, and para-benzyne. A comparative CCSD (T) investigation

4. A multiconfigurational SCF and correlation-consistent CI study of the structures, stabilities, and singlet-triplet splittings of o-, m-, and p-benzyne

5. CCSD(T) Investigation of the Bergman Cyclization of Enediyne. Relative Stability of o-, m-, and p-Didehydrobenzene

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