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Quantum Chemistry at ANU
Papers of 2003
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84.
Wave functions and two-electron probability distributions of the Hooke's Law atom and helium
DP O'Neill, PMW Gill
Phys Rev A
68 (2003) 022505
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83.
Stereoselective association of binuclear metallacycles in coordination polymers
AN Khlobystov, MT Brett, AJ Blake, NR Champness, PMW Gill, DP O'Neill, SJ Teat, C Wilson, M Schroder
J Am Chem Soc
125 (2003) 6753
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82.
Radial quadrature for multiexponential integrands
PMW Gill, SH Chien
J Comput Chem
24 (2003) 732
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81.
Two-electron distribution functions and intracules
PMW Gill, DP O'Neill, NA Besley
Theor Chem Acc
109 (2003) 241
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80.
Empirical density functional and the adsorption of organic molecules on Si(100)
MA Phillips, NA Besley, PMW Gill, P Moriarty
Phys Rev B
67 (2003) 35309
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79.
Computation of molecular Hartree-Fock Wigner intracules
NA Besley, DP O'Neill, PMW Gill
J Chem Phys
118 (2003) 2033