Dipole moments and molecular electrostatic potentials from MSINDO Karl JugLars KunertAndreas M. Köster Regular article Pages: 417 - 425
Dressed coupled-electron-pair-approximation methods for periodic systems P. Reinhardt Regular article Pages: 426 - 438
Performance of recently developed kinetic energy density functionals for the calculation of hydrogen binding strengths and hydrogen-bonded structures Angela D. RabuckGustavo E. Scuseria Regular article Pages: 439 - 444
An investigation of basis set effects in the characterization of electron – atom scattering resonances using the dilated electron propagator method Arun VenkatnathanManoj K. MishraHans Jørgen Aa. Jensen Regular article Pages: 445 - 454
Overestimation of the stability of the π-delocalized versus the σ-localized configuration in radicals by current density functionals: the case of vinylacyl radicals Maurizio Guerra Regular article Pages: 455 - 460
A density functional theory study of a concerted mechanism for proton exchange between amino acid side chains and water Rajeev PrabhakarMargareta R. A. BlombergPer E. M. Siegbahn Regular article Pages: 461 - 470
Particular and homogeneous solutions of time-independent wavepacket Schrödinger equations: calculations using a subset of eigenstates of undamped or damped Hamiltonians Srinivasan S. IyengarDonald J. KouriDavid K. Hoffman Regular article Pages: 471 - 483
The basis set convergence of the Hartree–Fock energy for H3 +, Li2 and N2 Frank Jensen Regular article Pages: 484 - 490
Finite expansion of the inverse matrix in the polarization propagator method Claudio N. Cavasotto Regular article Pages: 491 - 498
Convergence of multipole expanded intermolecular interaction energies for Gaussian-type-function and Slater-type-function basis sets Georg Jansen Regular article Pages: 499 - 506
