Correlation factor approach to the correlation energy functional L. Pastor-AbiaA. Pérez-JiménezF. Moscardó OriginalPaper 20 October 2003 Pages: 1 - 17
Systematic convergence of energies with respect to basis set and treatment of electron correlation: focal-point conformational analysis of methanol K. KahnT. C. Bruice OriginalPaper 24 December 2003 Pages: 18 - 24
Subshell-pair interelectronic angles of atoms H. MatsuyamaT. Koga OriginalPaper 07 October 2003 Pages: 25 - 30
Karplus-type relationships between scalar coupling constants: 3 J HH molecular versus 4h J HH supramolecular coupling constants Ibon AlkortaJosé Elguero OriginalPaper 09 October 2003 Pages: 31 - 35
Modeling of serine protease prototype reactions with the flexible effective fragment potential quantum mechanical/molecular mechanical method A. V. NemukhinB. L. GrigorenkoS. K. Burt OriginalPaper 06 February 2004 Pages: 36 - 48
The optimal size of the exchange hole and reduction to one-particle Hamiltonians Paul MancasA. M. Klaus MüllerHeinz Siedentop OriginalPaper 11 February 2004 Pages: 49 - 53
Charles M Quinn: Computational Quantum Chemistry: A guide to interactive basis set theory J. T. Fermann OriginalPaper 19 December 2003 Pages: 54 - 55
Accuracy of geometries: influence of basis set, exchange–correlation potential, inclusion of core electrons, and relativistic corrections M. SwartJ.G. Snijders Erratum 30 December 2003 Pages: 56 - 56