Quantum Chemistry at ANU
Papers of 2007
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110.
Intracule functional models. II. Analytically integrable kernels
DL Crittenden, EE Dumont, PMW Gill
J Chem Phys (Communication)
127 (2007) 141103
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109.
Intracule functional models: I. Angle-corrected correlation kernels
EE Dumont, DL Crittenden, PMW Gill
Phys Chem Chem Phys
9 (2007) 5340
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108.
Self-consistent Hartree-Fock-Wigner calculations
DP O'Neill, PMW Gill, in
Electron Correlation Methodology
(ACS Press, New York, 2007)
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107.
Computation and interpretation of molecular Omega intracules
DL Crittenden, PMW Gill
J Chem Phys
127 (2007) 014101
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106.
Picosecond time-resolved infrared study of 2-aminopurine ionisation in solution
MK Kuimova, PMW Gill, CY Lin, P Matousek, XZ Sun, MW George, AW Parker
Photochem Photobiol Sci
6 (2007) 949
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105.
BFW: A density functional for transition metal clusters
MA Addicoat, GF Metha, MA Buntine, ATB Gilbert, PMW Gill
J Phys Chem A
111 (2007) 2625
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104.
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations
HL Woodcock, M Hodoscek, ATB Gilbert, PMW Gill, HF Schaefer, BR Brooks
J Comput Chem
28 (2007) 1485
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103.
Efficient calculation of p-values in linear-statistic permutation significance tests
PMW Gill
J Stat Comput Sim
77 (2007) 55