The Structure ofmeta-Benzyne RevisitedA Close Look into σ-Bond Formation
- 20 October 2001
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 105 (45), 10422-10432
- https://doi.org/10.1021/jp012100c
Abstract
No abstract availableKeywords
This publication has 89 references indexed in Scilit:
- Ab Initio and Density Functional Theory Study of the Geometry and Reactivity of Benzyne, 3-Fluorobenzyne, 4-Fluorobenzyne, and 4,5-DidehydropyrimidineThe Journal of Physical Chemistry A, 1998
- 1,3,5‐Cyclohexatrien‐1,4‐diyl und 2,4‐Cyclohexadien‐1,4‐diylEuropean Journal of Inorganic Chemistry, 1994
- CCSD(T) Investigation of the Bergman Cyclization of Enediyne. Relative Stability of o-, m-, and p-DidehydrobenzeneJournal of the American Chemical Society, 1994
- CI calculations on didehydrobenzenes predict heats of formation for the meta and para isomers that are substantially higher than previous experimental valuesJournal of the American Chemical Society, 1993
- On the choice of orbitals for symmetry breaking problems with application to NO3The Journal of Chemical Physics, 1992
- Comparison of the Brueckner and coupled-cluster approaches to electron correlationThe Journal of Chemical Physics, 1992
- Infrared spectrum of o-benzyne: experiment and theoryJournal of the American Chemical Society, 1992
- Restricted Hartree-Fock and unrestricted Hartree-Fock as reference states in many-body perturbation theory: a critical comparison of the two approachesTheoretical Chemistry Accounts, 1991
- Comparison of coupled-cluster methods which include the effects of connected triple excitationsThe Journal of Chemical Physics, 1990
- Occupation numbers of natural orbitals as a criterion for biradical character. Different kinds of biradicalsJournal of the American Chemical Society, 1980