Author

Evert-Jan Baerends

Institutions: Leiden University, Universidad Autónoma de Madrid, Vrije Universiteit Amsterdam

Observed institutions: Leiden University, University of Nevada, Las Vegas, University of Namur, University of California, Santa Barbara, University of Basilicata, Fritz Haber Institute of the Max Planck Society, Technical University of Munich, Universidad Autónoma de Madrid, Vrije Universiteit Amsterdam

OpenAlex ID: A5110084602

Geometry optimizations in the zero order regular approximation for relativistic effects

1999 · Erik van Lenthe, Andreas Ehlers, et al. · The Journal of Chemical Physics · 2,485

Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems

2000 · Benoît Champagne, Eric A. Perpète, et al. · The Journal of Physical Chemistry A · 534

Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains

1998 · Benoı̂t Champagne, Eric A. Perpète, et al. · The Journal of Chemical Physics · 487

Reactive and Nonreactive Scattering of H 2 from a Metal Surface Is Electronically Adiabatic

2006 · Pablo Nieto, Ernst Pijper, et al. · Science · 190

Quantum Theory of Dissociative Chemisorption on Metal Surfaces

2002 · Geert-Jan Kroes, Axel Gross, et al. · Accounts of Chemical Research · 189

The distributed ASCI Supercomputer project

2000 · Henri Bal, Raoul Bhoedjang, et al. · ACM SIGOPS Operating Systems Review · 118

Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Ru(0001)

2005 · Jonathan K. Vincent, Roar A. Olsen, et al. · The Journal of Chemical Physics · 67

Rotational effects in six-dimensional quantum dynamics for reaction of H2 on Cu(100)

1999 · Drew A. McCormack, Geert-Jan Kroes, et al. · The Journal of Chemical Physics · 52

The First Theoretical and Experimental Proof of Polythiocarbamatozinc(II) Complexes, Catalysts for Sulfur Vulcanization

1998 · Peter J. Nieuwenhuizen, Andreas W. Ehlers, et al. · Chemistry - A European Journal · 45

Photodissociation of the Phosphine-Substituted Transition Metal Carbonyl Complexes Cr(CO)5L and Fe(CO)4L: A Theoretical Study

2003 · T. P. M. Goumans, Andreas W. Ehlers, et al. · Journal of the American Chemical Society · 40

Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains” [J. Chem. Phys. 109 , 10489 (1998)]

1999 · Benoı̂t Champagne, Eric A. Perpète, et al. · The Journal of Chemical Physics · 35

Diffractive and reactive scattering of (v=0, j=0) HD from Pt(111): Six-dimensional quantum dynamics compared with experiment

2003 · Sikke M. Kingma, Mark F. Somers, et al. · The Journal of Chemical Physics · 30

Six-dimensional quantum dynamics of dissociation of rotationally excited H2 on Cu(100)

1998 · Drew A. McCormack, Geert-Jan Kroes, et al. · Faraday Discussions · 26

Publisher’s Note: “Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Ru(0001)” [J. Chem. Phys. 122, 044701 (2005)]

2005 · Jonathan K. Vincent, Roar A. Olsen, et al. · The Journal of Chemical Physics · 1

Quantum Theory of Dissociative Chemisorption on Metal

2001 · Evert-Jan Baerends, Matthias Scheffler, et al.

Works count: 15

Citation count: 4,299

H-index: 13

I10-index: 13