검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
Modern valence-bond description of chemical reaction mechanisms : Diels-Alder reaction Karadakov PB, Cooper DL, Gerratt J Journal of the American Chemical Society, 120(16), 3975, 1998 |
| 2 |
Study of the Electronic States of the Allyl Radical Using Spin-Coupled Valence-Bond Theory Oliva JM, Gerratt J, Cooper DL, Karadakov PB, Raimondi M Journal of Chemical Physics, 106(9), 3663, 1997 |
| 3 |
Conrotatory and disrotatory pathways in the electrocyclic isomerization of cyclobutene to cis-butadiene: The spin-coupled viewpoint Oliva JM, Gerratt J, Karadakov PB, Cooper DL Journal of Chemical Physics, 107(21), 8917, 1997 |
| 4 |
Spin-Coupled Valence-Bond Study of the Reaction Between Benzene and a Methyl Cation Raos G, Astorri L, Raimondi M, Cooper DL, Gerratt J, Karadakov PB Journal of Physical Chemistry A, 101(15), 2886, 1997 |
| 5 |
Theoretical Investigation of Thiophene Oligomers - A Spin-Coupled Study Forni A, Sironi M, Raimondi M, Cooper DL, Gerratt J Journal of Physical Chemistry A, 101(24), 4437, 1997 |
| 6 |
Antiferromagnetic Spin Couplings in Cyclobutadiene Chains Raos G, Mcnicholas SJ, Gerratt J, Cooper DL, Karadakov PB Journal of Physical Chemistry B, 101(34), 6688, 1997 |
| 7 |
The Extraordinary Electronic-Structure of N2S2 Gerratt J, Mcnicholas SJ, Karadakov PB, Sironi M, Raimondi M, Cooper DL Journal of the American Chemical Society, 118(27), 6472, 1996 |
| 8 |
The Electronic-Structure of Cyclooctatetraene and the Modern Valence-Bond Understanding of Antiaromaticity Karadakov PB, Gerratt J, Cooper DL, Raimondi M Journal of Physical Chemistry, 99(25), 10186, 1995 |
| 9 |
The Calculation of Molecular Response Properties Using Perturbed Spin-Coupled Wave-Functions .1. Basic Theory Hyams PA, Gerratt J, Cooper DL, Raimondi M Journal of Chemical Physics, 100(6), 4408, 1994 |
| 10 |
The Calculation of Molecular Response Properties Using Perturbed Spin-Coupled Wave-Functions .2. Polarizability and Magnetic-Susceptibility of H-2 and Lih as Functions of Internuclear Distance Hyams PA, Gerratt J, Cooper DL, Raimondi M Journal of Chemical Physics, 100(6), 4417, 1994 |