Evert-Jan Baerends

Leiden University — Netherlands

Physics and Astronomy · Physical Sciences

13h-index4.2kcitations15works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(9), Spectroscopy and Quantum Chemical Studies(5), Quantum, superfluid, helium dynamics(5), Nonlinear Optical Materials Research(3), Synthesis and Properties of Aromatic Compounds(3)

Publications15 total

Reactive and Nonreactive Scattering of H <sub>2</sub> from a Metal Surface Is Electronically Adiabatic
Science·2006· 188 cited
Publisher’s Note: “Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Ru(0001)” [J. Chem. Phys. 122, 044701 (2005)]
The Journal of Chemical Physics·2005· 1 cited
Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Ru(0001)
The Journal of Chemical Physics·2005· 66 cited
Photodissociation of the Phosphine-Substituted Transition Metal Carbonyl Complexes Cr(CO)<sub>5</sub>L and Fe(CO)<sub>4</sub>L:  A Theoretical Study
Journal of the American Chemical Society·2003· 39 cited
Diffractive and reactive scattering of (v=0, j=0) HD from Pt(111): Six-dimensional quantum dynamics compared with experiment
The Journal of Chemical Physics·2003· 30 citedOpen Access
Quantum Theory of Dissociative Chemisorption on Metal Surfaces
Accounts of Chemical Research·2002· 183 cited
Quantum Theory of Dissociative Chemisorption on Metal
2001
The distributed ASCI Supercomputer project
ACM SIGOPS Operating Systems Review·2000· 120 citedOpen Access
Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems
The Journal of Physical Chemistry A·2000· 520 cited
Erratum: “Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An <i>ab initio</i> investigation of polyacetylene chains” [J. Chem. Phys. <b>109</b>, 10489 (1998)]
The Journal of Chemical Physics·1999· 35 citedOpen Access
Geometry optimizations in the zero order regular approximation for relativistic effects
The Journal of Chemical Physics·1999· 2.4k citedOpen Access
Rotational effects in six-dimensional quantum dynamics for reaction of H2 on Cu(100)
The Journal of Chemical Physics·1999· 51 citedOpen Access
Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An <i>ab initio</i> investigation of polyacetylene chains
The Journal of Chemical Physics·1998· 476 citedOpen Access
The First Theoretical and Experimental Proof of Polythiocarbamatozinc(II) Complexes, Catalysts for Sulfur Vulcanization
Chemistry - A European Journal·1998· 45 cited
Six-dimensional quantum dynamics of dissociation of rotationally excited H2 on Cu(100)
Faraday Discussions·1998· 24 cited

Frequent Co-authors

Geert–Jan Kroes(7), R. A. Olsen(5), Drew A. McCormack(4), Andreas W. Ehlers(3), Benoı̂t Champagne(3), Éric A. Perpète(3), S. J. A. van Gisbergen(3), Chirine Soubra‐Ghaoui(3), Kathleen A. Robins(3), Bernard Kirtman(3), J. G. Snijders(2), E. Pijper(2), Matthias Scheffler(2), Jonathan Vincent(2), Marcello Luppi(2), R. C. Mowrey(2), Erik van Lenthe(1), Denis Jacquemin(1), Pablo Nieto(1), Daniel Barredo(1)