Double even tempering of orbital exponents: Application to Roothaan-Hartree-Fock calculations for He through Xe in Slater-type basis sets Toshikatsu KogaHiroshi TatewakiAjit J. Thakkar OriginalPaper Pages: 273 - 283
Topological complexity of potential surfaces and application to C2H2 molecule M. RératD. LiotardJ. M. Robine OriginalPaper Pages: 285 - 298
On the origin of the barriers and the structures of acetaldehyde in its ground and first singlet excited state C. Muñoz-CaroA. NiñoD. C. Moule OriginalPaper Pages: 299 - 310
Theories of binding in H 2 + Melvyn P. MelroseManish ChauhanFahim Khan OriginalPaper Pages: 311 - 324
Ab initio electronic analysis of the hydride transfer in the [CH3-H-CH3]+ system J. MestresM. DuranJ. Bertrán OriginalPaper Pages: 325 - 338