Evert-Jan Baerends
Leiden University(NL)Vrije Universiteit Amsterdam(NL)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Quantum, superfluid, helium dynamics, Nonlinear Optical Materials Research, Synthesis and Properties of Aromatic Compounds
Most-Cited Works
- → Geometry optimizations in the zero order regular approximation for relativistic effects(1999)2,411 cited
- → Assessment of Conventional Density Functional Schemes for Computing the Dipole Moment and (Hyper)polarizabilities of Push−Pull π-Conjugated Systems(2000)520 cited
- → Assessment of conventional density functional schemes for computing the polarizabilities and hyperpolarizabilities of conjugated oligomers: An ab initio investigation of polyacetylene chains(1998)476 cited
- → Reactive and Nonreactive Scattering of H 2 from a Metal Surface Is Electronically Adiabatic(2006)188 cited
- → Quantum Theory of Dissociative Chemisorption on Metal Surfaces(2002)185 cited
- → The distributed ASCI Supercomputer project(2000)120 cited
- → Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Ru(0001)(2005)66 cited
- → Rotational effects in six-dimensional quantum dynamics for reaction of H2 on Cu(100)(1999)51 cited
- → The First Theoretical and Experimental Proof of Polythiocarbamatozinc(II) Complexes, Catalysts for Sulfur Vulcanization(1998)45 cited
- → Photodissociation of the Phosphine-Substituted Transition Metal Carbonyl Complexes Cr(CO)5L and Fe(CO)4L: A Theoretical Study(2003)39 cited