Restricted SCF and MC SCF study of the C2v and Cs structures of the allyl radical
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference11 articles.
1. Stability Conditions for the Solutions of the Hartree–Fock Equations for Atomic and Molecular Systems. IV. A Study of Doublet Stability for Odd Linear Polyenic Radicals
2. Symmetry dilemma in all-electron MO theory of the allyl radical
3. On symmetry dilemmas in ab initio SCF studies of allyl radical and ethylene
4. A remark on doublet stability of allyl radical restricted SCF solutions
5. Electron Spin Resonance Studies of Transient Alkyl Radicals
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1. Computation of molecular vibrational frequencies using anomalous harmoniclike potentials;The Journal of Chemical Physics;2009-07-28
2. Covalent Excited States of Polyenes C2nH2n+2 (n = 2−8) and Polyenyl Radicals C2n-1H2n+1 (n = 2−8): An Ab Initio Valence Bond Study;Journal of Chemical Theory and Computation;2008-11-06
3. Rotational analysis of the electronic spectrum of the allyl radical;Molecular Physics;2005-06-10
4. The Ground and Excited States of Polyenyl Radicals C2n−1H2n+1 (n=2–13): A Valence Bond Study;ChemPhysChem;2004-04-19
5. The potential energy surfaces for AlO2 using multi-reference wave functions;Chemical Physics Letters;2001-08
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