Simulating quantum dynamics in classical environments Alessandro SergiDonal Mac KernanRaymond Kapral OriginalPaper 11 August 2003 Pages: 49 - 58
The role of vibronic interactions on intramolecular and intermolecular electron transfer in π-conjugated oligomers V. CoropceanuJ.M. AndréJ.L. Brédas OriginalPaper 15 August 2003 Pages: 59 - 69
Vibrational analysis of small species in the liquid phase by a combined density functional theory and polarizable continuum method A.L. MagalhãesA.S. Soares Pinto OriginalPaper 15 August 2003 Pages: 70 - 78
Interelectronic angle densities of atoms in momentum space Toshikatsu Koga OriginalPaper 15 August 2003 Pages: 79 - 84
Eliminating chaos in the Belousov–Zhabotinsky reaction by no-delay feedback and delayed feedback Rui ZhuQian Shu Li OriginalPaper 15 August 2003 Pages: 85 - 91
A valence-bond-based complete-active-space self-consistent-field method for the evaluation of bonding in organic molecules Lluís BlancafortPaolo CelaniMichael A. Robb OriginalPaper 15 August 2003 Pages: 92 - 99
Diacetylene's weak bonding to acetylene clusters Kimberly ChenowethClifford E. Dykstra OriginalPaper 15 August 2003 Pages: 100 - 104
Excited states of conjugated hydrocarbon radicals using the molecular mechanics – valence bond (MMVB) method Michael J. BearparkMartial Boggio-Pasqua OriginalPaper 15 August 2003 Pages: 105 - 114
