On the calculation of transition states
- 1 October 1975
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 35 (4) , 550-554
- https://doi.org/10.1016/0009-2614(75)85665-x
Abstract
No abstract availableThis publication has 12 references indexed in Scilit:
- MINDO/3 study of the thermal conversion of cyclobutene to 1,3-butadieneJournal of the American Chemical Society, 1974
- Structure of transition states. III. MINDO/2 study of the cyclization of 1,3,5-hexatriene to 1,3-cyclohexadieneJournal of the American Chemical Society, 1974
- Reaction pathways for the triplet methylene abstraction CH2(3B1) + H2 .far. CH3 + HJournal of the American Chemical Society, 1974
- Molecular orbital theory of the electronic structure of organic compounds. XIX. Geometries and energies of C3H5 cations. Energy relations among allyl, vinyl, and cyclopropyl cationsJournal of the American Chemical Society, 1973
- Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital methodJournal of the American Chemical Society, 1972
- Potential energy surface for the addition of benzyne to ethyleneThe Journal of Physical Chemistry, 1972
- Classical and nonclassical potential surfaces. Significance of antiaromaticity in transition statesJournal of the American Chemical Society, 1971
- MINDO [modified intermediate neglect of differential overlap]/2 study of antiaromatic ("forbidden") electrocyclic processesJournal of the American Chemical Society, 1971
- Optimization of SCF LCAO wave functionsMolecular Physics, 1970
- Symmetries of activated complexesTransactions of the Faraday Society, 1968