Evert Jan Baerends

Vrije Universiteit Amsterdam, Amsterdam, Netherlands 
Theoretical Chemistry
"Evert Baerends"
Mean distance: 8.87
Cross-listing: MathTree


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Pieter Ros grad student 1975 VU Amsterdam
 (Self-consistent molecular Hartree-Fock-Slater calculations)


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Mu-Hyun Baik grad student
Marcel A.Th.F. Nooijen grad student 1992 VU Amsterdam
F. Matthias Bickelhaupt grad student 1993 Amsterdam
Berend Ensing grad student 2003 VU Amsterdam
Tom Ziegler post-doc VU Amsterdam (Neurotree)
Miquel Solà post-doc 1994-1995 VU Amsterdam
A.W. Ehlers post-doc 1995-1998 VU Amsterdam
Gopakumar Gopinadhanpillai post-doc 2008-2010 VU Amsterdam
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Gori-Giorgi P, Gál T, Baerends EJ. (2016) Asymptotic behaviour of the electron density and the Kohn–Sham potential in case of a Kohn–Sham HOMO nodal plane Molecular Physics. 1-12
Ricciardi G, Baerends EJ, Rosa A. (2016) Charge Effects on the Reactivity of Oxoiron(IV) Porphyrin Species: A DFT Analysis of Methane Hydroxylation by Polycationic Compound i and Compound II Mimics Acs Catalysis. 6: 568-579
Kazaryan A, van Santen R, Baerends EJ. (2015) Light-induced water splitting by titanium-tetrahydroxide: a computational study. Physical Chemistry Chemical Physics : Pccp. 17: 20308-21
Wang J, Baerends EJ. (2015) Real-space representation of electron correlation in π-conjugated systems. The Journal of Chemical Physics. 142: 204311
Kazaryan A, Baerends EJ. (2015) Ligand field effects and the high spin-high reactivity correlation in the h abstraction by non-heme Iron(IV)-oxo complexes: A dft frontier orbital Perspective Acs Catalysis. 5: 1475-1488
Van Meer R, Gritsenko OV, Baerends EJ. (2015) The one-electron description of excited states: Natural excitation orbitals of density matrix theory and Kohn-Sham orbitals of density functional theory as ideal orbitals Chemical Physics Letters. 639: 315-319
van Meer R, Gritsenko OV, Baerends EJ. (2014) Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations. Journal of Chemical Theory and Computation. 10: 4432-41
Mentel ?M, van Meer R, Gritsenko OV, et al. (2014) The density matrix functional approach to electron correlation: dynamic and nondynamic correlation along the full dissociation coordinate. The Journal of Chemical Physics. 140: 214105
Heshmat M, Baerends EJ, Polavarapu PL, et al. (2014) The importance of large-amplitude motions for the interpretation of mid-infrared vibrational absorption and circular dichroism spectra: 6,6'-dibromo-[1,1'-binaphthalene]-2,2'-diol in dimethyl sulfoxide. The Journal of Physical Chemistry. A. 118: 4766-77
Giesbertz KJ, Gritsenko OV, Baerends EJ. (2014) Response calculations based on an independent particle system with the exact one-particle density matrix: polarizabilities. The Journal of Chemical Physics. 140: 18A517
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