
Quantum Chemistry at ANU
Papers of 2006
-
102.
A point-charge model for electrostatic potentials based on a local projection of multipole moments
ATB Gilbert, PMW Gill
Mol Simul
32 (2006) 1249
-
101.
Highly oxidized ruthenium organometallic compounds: Synthesis and electrochemical oxidation
SL Kuan, EPL Tay, WK Leong, LY Goh, CY Lin, PMW Gill, RD Webster
Organometallics
25 (2006) 6134
-
100.
Advances in methods and algorithms in the Q-Chem 3.0 program package
ATB Gilbert, CY Lin, SH Chien, PMW Gill, M Head-Gordon, many others
Phys Chem Chem Phys
8 (2006) 3172
-
99.
SG-0: A small standard grid for DFT quadrature on large systems
SH Chien, PMW Gill
J Comput Chem
27 (2006) 730
-
98.
A family of intracules, a conjecture and the electron correlation problem
PMW Gill, DL Crittenden, DP O'Neill, NA Besley
Phys Chem Chem Phys
8 (2006) 15