Reinvestigation of some thermally “forbidden” pericyclic reactions and biradical processes in the semiempirical TCSCF approach
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference51 articles.
1. The Conservation of Orbital Symmetry
2. Aromaticity and Pericyclic Reactions
3. The electronic structures of biradicals in the unrestricted Hartree-Fock approximation
4. Ground states of molecules. XXII. Incorporation of partial configuration interaction in MINDO [modified intermediate neglect of differential overlap]/2 and its application to bond dissociation energies and sigmatropic rearrangements
5. Discontinuities in computed potential energy curves
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4. Isomerizations of Bicyclo[2.1.0]pent-2-ene and Tricyclo[2.1.0.02,5]pentane into Cyclopenta-1,3-diene: A Computational Study by DFT and High-Level ab Initio Methods;The Journal of Physical Chemistry A;2003-12-23
5. Similarity approach to chemical reactivity. Theoretical justification of the Hammond postulate;Journal of Mathematical Chemistry;1996
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