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Results: 1-10 |
Results: 10
Alkoxyl radical decomposition explained by a valence-bond model
Authors: Mereau, R Rayez, MT Rayez, JC Hiberty, PC
Citation: R. Mereau et al., Alkoxyl radical decomposition explained by a valence-bond model, PHYS CHEM P, 3(17), 2001, pp. 3656-3661
Identity hydrogen abstraction reactions, X-center dot+H-X '-> X-H+X '(center dot) (X = X ' = CH3, SiH3, GeH3, SnH3, PbH3): A valence bond modeling
Authors: Shaik, S Wu, W Dong, KM Song, LC Hiberty, PC
Citation: S. Shaik et al., Identity hydrogen abstraction reactions, X-center dot+H-X '-> X-H+X '(center dot) (X = X ' = CH3, SiH3, GeH3, SnH3, PbH3): A valence bond modeling, J PHYS CH A, 105(35), 2001, pp. 8226-8235
Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations
Authors: Braida, B Lauvergnat, D Hiberty, PC
Citation: B. Braida et al., Symmetry-breaking and near-symmetry-breaking in three-electron-bonded radical cations, J CHEM PHYS, 115(1), 2001, pp. 90-102
sigma-pi energy separation in modern electronic theory for ground states of conjugated systems
Authors: Jug, K Hiberty, PC Shaik, S
Citation: K. Jug et al., sigma-pi energy separation in modern electronic theory for ground states of conjugated systems, CHEM REV, 101(5), 2001, pp. 1477-1500
A different story of pi-delocalization - The distortivity of pi-electrons and its chemical manifestations
Authors: Shaik, S Shurki, A Danovich, D Hiberty, PC
Citation: S. Shaik et al., A different story of pi-delocalization - The distortivity of pi-electrons and its chemical manifestations, CHEM REV, 101(5), 2001, pp. 1501-1539
Diatomic halogen anions and related three-electron-bonded anion radicals: Very contrasted performances of Moller-Plesset methods in symmetric vs dissymmetric cases
Authors: Braida, B Hiberty, PC
Citation: B. Braida et Pc. Hiberty, Diatomic halogen anions and related three-electron-bonded anion radicals: Very contrasted performances of Moller-Plesset methods in symmetric vs dissymmetric cases, J PHYS CH A, 104(19), 2000, pp. 4618-4628
pi bonding in second and third row molecules: Testing the strength of Linus's blanket
Authors: Galbraith, JM Blank, E Shaik, S Hiberty, PC
Citation: Jm. Galbraith et al., pi bonding in second and third row molecules: Testing the strength of Linus's blanket, CHEM-EUR J, 6(13), 2000, pp. 2425-2434
Charge-shift bonding in group IVB halides: A valence bond study of MH3-Cl (M = C, Si, Ge, Sn, Pb) molecules (vol 121, pg 822, 1999)
Authors: Shurki, A Hiberty, PC Shaik, S
Citation: A. Shurki et al., Charge-shift bonding in group IVB halides: A valence bond study of MH3-Cl (M = C, Si, Ge, Sn, Pb) molecules (vol 121, pg 822, 1999), J AM CHEM S, 121(41), 1999, pp. 9768-9768
Charge-shift bonding in group IVB halides: A valence bond study of MH3-Cl (M = C, Si, Ge, Sn, Pb) molecules
Authors: Shurki, A Hiberty, PC Shaik, S
Citation: A. Shurki et al., Charge-shift bonding in group IVB halides: A valence bond study of MH3-Cl (M = C, Si, Ge, Sn, Pb) molecules, J AM CHEM S, 121(4), 1999, pp. 822-834
o-, m-, and p-diphosphabenzenes and their P-2(C-H)(4) valence isomers. An ab initio theoretical study
Authors: Colombet, L Volatron, F Maitre, P Hiberty, PC
Citation: L. Colombet et al., o-, m-, and p-diphosphabenzenes and their P-2(C-H)(4) valence isomers. An ab initio theoretical study, J AM CHEM S, 121(17), 1999, pp. 4215-4221
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