R. Zwaans

Starting SCF calculations by superposition of atomic densities

Joop H. van Lenthe, R. Zwaans, Hubertus J. J. van Dam et al. · Journal of Computational Chemistry · 2006 · 101 citations

Size consistent multireference single and double excitation configuration interaction calculations. The multireference coupled electron-pair approximation

Paul J.A. Ruttink, J. H. van Lenthe, R. Zwaans et al. · The Journal of Chemical Physics · 1991 · 57 citations · Full text

Engineering, Proton-coupled Electron Transfer, Excitation Energy Transfer +16

Ab initio calculations on first-row transition metal porphyrins. Part 1. Geometrical details, charge distributions and the effects of additional charge

R. Zwaans, Joop H. van Lenthe, D.H.W. den Boer · Journal of Molecular Structure THEOCHEM · 1995 · 28 citations

Charge Distributions, Physics, Natural Sciences +7

Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s

Marcel J. de Groot, Remco W. A. Havenith, H. Maarten Vinkers et al. · Journal of Computer-Aided Molecular Design · 1998 · 25 citations

Ab initio calculations on first-row transition metal porphyrins Part 2. Ground state spin multiplicities, calculated ionisation potentials and electron affinities and their relation to catalytic activity

R. Zwaans, Joop H. van Lenthe, D.H.W. den Boer · Journal of Molecular Structure THEOCHEM · 1996 · 24 citations

Electron Affinities, Inorganic Chemistry, Chemical Engineering +10