
Quantum Chemistry at ANU
Papers of 2008
-
118.
Self-consistent field calculations of excited states using the Maximum Overlap Method (MOM)
ATB Gilbert, NA Besley, PMW Gill
J Phys Chem A
112 (2008) 13164
-
117.
Long-lived radical cations as model compounds for the one-electron oxidation product of vitamin E
HM Peng, BF Choules, WW Yao, Z Zhang, RD Webster, PMW Gill
J Phys Chem B
112 (2008) 10367
-
116.
A generalized Poisson equation and short-range self-interaction energies
SA Varganov, ATB Gilbert, PMW Gill
J Chem Phys (Communication)
128 (2008) 241101
-
115.
Resolutions of the Coulomb operator
SA Varganov, ATB Gilbert, E Deplazes, PMW Gill
J Chem Phys (Communication)
128 (2008) 201104
-
114.
Intracule functional models. III. The Dot intracule and its Fourier transform
YA Bernard, DL Crittenden, PMW Gill
Phys Chem Chem Phys
10 (2008) 3447
-
113.
Explicit-r12 correlation methods and local correlation methods
PMW Gill, HJ Werner
Phys Chem Chem Phys
10 (2008) 3318
-
112.
Cyclic voltammetry and theoretical studies on tocopherol (Vitamin E) model compounds
WW Yao, HM Peng, RD Webster, PMW Gill
J Phys Chem B
112 (2008) 6847
-
111.
Calculating molecular vibrational spectra beyond the harmonic approximation
CY Lin, ATB Gilbert, PMW Gill
Theor Chem Acc
120 (2008) 23