Concepedia

Warwick A. Shapley

WA

12

Publications

340

Citations

12

H-Index

1998

Active since

Affiliations

The University of Sydney(Current)

University of British Columbia

Warwick A. Shapley is an author at The University of Sydney specializing in quantum chemistry, chemistry, and computational chemistry.

Top concepts

ChemistryQuantum ChemistryPhysicsNatural SciencesComputational ChemistryEngineeringPhysical ChemistryBiophysicsAtomic PhysicsElectron Density

Publications per year

1998–2004

12

Publications

12

A Gaussian-2 Quantum Chemical Study of CHNO: Isomerization and Molecular Dissociation Reactions

Warwick A. Shapley, George B. Bacskay · The Journal of Physical Chemistry A · 1999 · 54 citations

Engineering, Theoretical Inorganic Chemistry, Computational Chemistry +18

Ab Initio Quantum Chemical Studies of the p<i>K</i><sub>a</sub>'s of Hydroxybenzoic Acids in Aqueous Solution with Special Reference to the Hydrophobicity of Hydroxybenzoates and Their Binding to Surfactants

Warwick A. Shapley, George B. Bacskay, Gregory G. Warr · The Journal of Physical Chemistry B · 1998 · 51 citations

Electronic Couplings and Energy Transfer Dynamics in the Oxidized Primary Electron Donor of the Bacterial Reaction Center

Xanthipe J. Jordanides, Gregory D. Scholes, Warwick A. Shapley et al. · The Journal of Physical Chemistry B · 2004 · 41 citations

Engineering, Proton-coupled Electron Transfer, Excitation Energy Transfer +21

PW86-PW91 density functional calculation of vertical ionization potentials: Some implications for present-day functionals

Warwick A. Shapley, Delano P. Chong · International Journal of Quantum Chemistry · 2000 · 33 citations

Engineering, Correlation Functionals, Computational Chemistry +17

Ab Initio Quantum Chemical Studies of the Formaldiminoxy (CH<sub>2</sub>NO) Radical: 2. Dissociation Reactions

Warwick A. Shapley, George B. Bacskay · The Journal of Physical Chemistry A · 1999 · 32 citations

Halogenation, Engineering, Biochemistry +15

Rows per page

1–5 of 12