A theoretical study of the photochemical reductive elimination and thermal oxidative addition of molecular hydrogen from and to the Ir-complex Y. HayashiH. NakaiH. Nakatsuji Regular article Pages: 210 - 214
A new technique for the early detection of stiffness in coupled differential equations and application to standard Runge-Kutta algorithms Morris Bader Regular article Pages: 215 - 219
Parallel implementation of a divide and conquer semiempirical algorithm James J. VincentSteven L. DixonKenneth M. Merz Jr. Regular article Pages: 220 - 223
Subduction of Q-conjugacy representations and characteristic monomials for combinatorial enumeration Shinsaku Fujita Regular article Pages: 224 - 230
Quantum Monte Carlo study of Be2 and group 12 dimers M2 (M = Zn, Cd, Hg) F. SchautzH.-J. FladM. Dolg Regular article Pages: 231 - 240
Global geometry optimization of small silicon clusters at the level of density functional theory Bernd Hartke Regular article Pages: 241 - 247
Electron affinities, excitation energies and ionization potentials of the transition metals (I) Sc and Ti Nobuaki MiuraTakeshi NoroYou Osanai Regular Article Pages: 248 - 254
Computation of stationary points via a homotopy method Stefan AckermannWolfgang Kliesch Regular article Pages: 255 - 264
Extrapolation to the limit of a complete basis set for electronic structure calculations on the N2 molecule Wim KlopperTrygve Helgaker Letter Pages: 265 - 271
Structure and stabilities of (HA1NH)n (n = 2–4) Xianyang ChenChongde LiGuanzhi Ju Letter Pages: 272 - 276
