Symmetry-adapted integrals over many-electron basis functions and operators P. DahleP. R. Taylor Regular article Pages: 401 - 407
Near-degeneracy corrections for second-order perturbation theory: comparison of two approaches Ágnes SzabadosXavier AssfeldPéter R. Surján Regular article Pages: 408 - 412
Harmonic frequency scaling factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ electric property basis set Mathew D. HallsJulia VelkovskiH. Bernhard Schlegel Regular article Pages: 413 - 421
Theoretical analysis of some substituted imine–enamine tautomerism Patricia PérezAlejandro Toro-Labbé Regular article Pages: 422 - 430
Möbius strip versus linear and cyclic polyacenes: a Hückel and semiempirical investigation Maxime GuillaumeBenoît ChampagneJean-Marie André Regular article Pages: 431 - 436
Excitation energies, electron affinities and ionization potentials of the transition metals V, Cr and Mn You OsanaiHirotake IshikawaTakeshi Noro Regular article Pages: 437 - 445
An improved iterative solution to solve the electrostatic problem in the polarizable continuum model Christian Silvio PomelliJacopo TomasiVincenzo Barone Regular article Pages: 446 - 451
A theoretical study of the copper–cysteine bond in blue copper proteins Ulf RydeMats H. M. OlssonAntonio Carlos Borin Regular article Pages: 452 - 462
Finding transition states using reduced potential-energy surfaces Josep Maria BofillJosep Maria Anglada Regular article Pages: 463 - 472
Transition state for intramolecular C–H bond cleavage in [(LCu)2(μ-O)2]2+ (L = 1,4,7-tribenzyl-1,4,7-triazacyclononane) Christopher J. CramerYoungshang Pak Letter Pages: 477 - 480
