Multiple Excited States in a Two-State Crossing Model: Predicting Barrier Height Evolution for H + Alkene Addition Reactions
- 14 April 2000
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 104 (19) , 4458-4468
- https://doi.org/10.1021/jp993051v
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- Testing Frontier Orbital Control: Kinetics of OH with Ethane, Propane, and Cyclopropane from 180 to 360KThe Journal of Physical Chemistry A, 1998
- Predicting Radical−Molecule Barrier Heights: The Role of the Ionic SurfaceThe Journal of Physical Chemistry A, 1998
- Current Status of Transition-State TheoryThe Journal of Physical Chemistry, 1996
- Valence Bond Mixing and Curve Crossing Diagrams in Chemical Reactivity and BondingPublished by Elsevier ,1995
- Comparison of the Addition of CH3.bul., CH2OH.bul., and CH2CN.bul. Radicals to Substituted Alkenes: A Theoretical Study of the Reaction MechanismJournal of the American Chemical Society, 1994
- Are polar interactions important in the addition of methyl radical to alkenes?Journal of the American Chemical Society, 1993
- Interpolated variational transition state theory and tunneling calculations of the rate constant of the reaction OH+CH4 at 223–2400 KThe Journal of Chemical Physics, 1993
- Formation of CC Bonds by Addition of Free Radicals to AlkenesAngewandte Chemie International Edition in English, 1983
- Rate constants for the gas‐phase reactions of O3 with selected organics at 296 KInternational Journal of Chemical Kinetics, 1982
- Hierarchy of symmetry conservation rules governing chemical reaction systemsJournal of the American Chemical Society, 1974