Own N-layered integrated molecular orbital and molecular mechanics study of the reaction of OH− with polychlorinated hydrocarbons CH(4−n)Cln (n=2–4) Suyong ReKeiji Morokuma OriginalPaper 02 February 2004 Pages: 59 - 67
Explicit definition of the reaction coordinate for the Jackels–Gu–Truhlar projection technique to compute harmonic vibrational frequencies along the intrinsic reaction path Gregory A. Natanson OriginalPaper 16 March 2004 Pages: 68 - 74
Generalized reaction-path Hamiltonian dynamics Javoer GonzálezXavier GiménezJosep Maria Bofill OriginalPaper 02 February 2004 Pages: 75 - 83
Correlation potentials for a multiconfigurational-based density functional theory with exact exchange Sergey GusarovPer-Åke MalmqvistBjörn O. Roos OriginalPaper 08 April 2004 Pages: 84 - 94
Ab initio study of the oxidation of CH3SH to CH3SSCH3 Rois Benassi OriginalPaper 08 April 2004 Pages: 95 - 105
Performance of density functionals for calculation of reductive ring-opening reaction energies of Li+-EC and Li+-VC Young-Kyu HanSsang Uck Lee OriginalPaper 02 April 2004 Pages: 106 - 112