| 1 |
Electronic couplings and energy transfer dynamics in the oxidized primary electron donor of the bacterial reaction center
Jordanides XJ, Scholes GD, Shapley WA, Reimers JR, Fleming GR
Journal of Physical Chemistry B, 108(5), 1753, 2004 |
| 2 |
Modelling the bacterial photosynthetic reaction center. V. Assignment of the electronic transition observed at 2200 cm(-1) in the special-pair radical-cation as a second-highest occupied molecular orbital to highest occupied molecular orbital transition
Reimers JR, Shapley WA, Hush NS
Journal of Chemical Physics, 119(6), 3240, 2003 |
| 3 |
Modelling the bacterial photosynthetic reaction center. VI. Use of density-functional theory to determine the nature of the vibronic coupling between the four lowest-energy electronic states of the special-pair radical cation
Reimers JR, Shapley WA, Rendell AP, Hush NS
Journal of Chemical Physics, 119(6), 3249, 2003 |
| 4 |
Ab initio quantum chemical studies of the formaldiminoxy (CH2NO) radical: 1. Isomerization reactions
Shapley WA, Bacskay GB
Journal of Physical Chemistry A, 103(23), 4505, 1999 |
| 5 |
Ab initio quantum chemical studies of the formaldiminoxy (CH2NO) radical: 2. Dissociation reactions
Shapley WA, Bacskay GB
Journal of Physical Chemistry A, 103(23), 4514, 1999 |
| 6 |
A Gaussian-2 quantum chemical study of CHNO: Isomerization and molecular dissociation reactions
Shapley WA, Bacskay GB
Journal of Physical Chemistry A, 103(33), 6624, 1999 |
| 7 |
Ab initio quantum chemical studies of the pK(a)'s of hydroxybenzoic acids in aqueous solution with special reference to the hydrophobicity of hydroxybenzoates and their binding to surfactants
Shapley WA, Bacskay GB, Warr GG
Journal of Physical Chemistry B, 102(11), 1938, 1998 |
