Papers of 2005

1. 97. Transformation of tocopherol (vitamin E) and related compounds into their phenoxonium ions SB Lee, CY Lin, PMW Gill, RD Webster J Org Chem 70 (2005) 10466
2. 96. An optimal point-charge model for molecular electrostatic potentials AC Simmonett, ATB Gilbert, PMW Gill Mol Phys 103 (2005) 2789
3. 95. Decay behavior of least-squares coefficients in auxiliary basis expansions PMW Gill, ATB Gilbert, SW Taylor, G Friesecke, M Head-Gordon J Chem Phys (Communication) 123 (2005) 061101
4. 94. Auxiliary basis expansions for large-scale electronic structure calculations Y Jung, A Sodt, PMW Gill, M Head-Gordon Proc Natl Acad Sci USA 102 (2005) 6692
5. 93. Finite jellium models. I. Restricted Hartree-Fock calculations S Ghosh, PMW Gill J Chem Phys 122 (2005) 154108
6. 92. Benchmark correlation energies for small molecules DP O'Neill, PMW Gill Mol Phys 103 (2005) 763
7. 91. Electron correlation in Hooke's Law atom in the high-density limit PMW Gill, DP O'Neill J Chem Phys 122 (2005) 094110