Nivel 1
In my group, we develop chemical theories and methods for rationally designing molecules, nano-structures and materials as well as chemical processes toward these compounds, based on quantum mechanics and computer simulations. An essential part of these efforts is theory-driven experimentation, the application of our theories and models in cooperation with experimental groups.
My scientific activities comprize four main directions of research that are intimately connected and reinforce each other: 1) Structure and Chemical Bonding in Kohn-Sham Density Functional Theory (DFT), 2) Molecular Recognition and Theoretical Biochemistry, 3) Elementary Chemical Reactions [see: Activation Strain model; Pyfrag], and 4) Fragment-oriented Design of Catalysts. For a publication analysis, go to my ResearcherID and click on Citation Metrics. For selected publications, click here, or visit the cover gallery.
Universiteit Amsterdam, Amsterdam, Netherlands
Physical Chemistry Chemical Physics – PCCP (Journal)L. Visscher
(Member of editorial board), P. Bolhuis (Member of editorial board) & F.M. Bickelhaupt (Member of editorial board)2011Activity: Peer review and Editorial work › Editorial work › Academic
Physical Chemistry Chemical Physics – PCCP (Journal)
L. Visscher (Member of editorial board), P. Bolhuis (Member of editorial board) & F.M. Bickelhaupt (Member of editorial board)
Activity: Peer review and Editorial work › Editorial work › Academic
Fragmentoorientiertes Katalysatordesign und das ATS-MOdell der chemischen Reaktivatat
F.M. Bickelhaupt (Speaker)
Activity: Lecture / Presentation › Academic
Hydrogen Bonding in DNA : Tackling a Biological Molecule with ADF
F.M. Bickelhaupt (Speaker)
Activity: Lecture / Presentation › Academic
Fragment-Oriented Design of Catalysts and the Activation-Strain Model
F.M. Bickelhaupt (Speaker)
Activity: Lecture / Presentation › Academic
Baseninduzierte 1,4-Eliminierung in der Gasphase: Experiment und Theorie
F.M. Bickelhaupt (Speaker)
Activity: Lecture / Presentation › Academic
The Nature of Molecular Recognition and Hydrogen Bonding in DNA
F.M. Bickelhaupt (Speaker)
7 Dec 2000
Activity: Lecture / Presentation › Academic
The Activation Strain Model: Towards a Rational Design of Homogeneous Catalysts
F.M. Bickelhaupt (Speaker)
6 Oct 2000
Activity: Lecture / Presentation › Academic
DNA: Tackling a Biological Molecule with ADF
F.M. Bickelhaupt (Speaker)
2 Jun 2000
Activity: Lecture / Presentation › Academic
DNA: Tackling a Biological Molecule with ADF
F.M. Bickelhaupt (Speaker)
1 Jun 2000
Activity: Lecture / Presentation › Academic
The Activation Strain Model : Understanding and Directing Chemical Reactivity
F.M. Bickelhaupt (Speaker)
24 Jan 2000
Activity: Lecture / Presentation › Academic
DNA: Tackling a Biological Molecule with ADF
F.M. Bickelhaupt (Speaker)
31 May 2000
Activity: Lecture / Presentation › Academic
DNA : Tackling a Biological Molecule with ADF
F.M. Bickelhaupt (Speaker)
30 May 2000
Activity: Lecture / Presentation › Academic
Die Konzepte “Aktivierungsspannung” und “TS-Wechselwirkung” als Basis für ein Reaktivitätsmodell
F.M. Bickelhaupt (Speaker)
22 Mar 1999
Activity: Lecture / Presentation › Academic
Organomagnesiumchemie nach Victor Grignard: noch neues nach 99 Jahren
F.M. Bickelhaupt (Speaker)
26 Nov 1999
Activity: Lecture / Presentation › Academic
The Activation Strain Model of Chemical Reactivity: Rotational Design of New Catalysts.
F.M. Bickelhaupt (Speaker)
22 Apr 1999
Activity: Lecture / Presentation › Academic
The Activation Strain Model of Chemical Reactivity: Rational Design of New Catalysts
F.M. Bickelhaupt (Speaker)
20 Apr 1999
Activity: Lecture / Presentation › Academic
A Reactivity Model Based on the Ideas of “Activation Strain” and “TS Interaction”
F.M. Bickelhaupt (Speaker)
10 Mar 1999
Activity: Lecture / Presentation › Academic
The Activation Strain Model of Chemical Reactivity.
F.M. Bickelhaupt (Speaker)
15 Feb 1999
Activity: Lecture / Presentation › Academic
The Activation Strain Model of Chemical Reactivity: Rational Design of New Catalysts
F.M. Bickelhaupt (Speaker)
19 Apr 1999
Activity: Lecture / Presentation › Academic
The ideas of “Activation Strain” and “TS Interaction” as Basis for a Reactivity Model.
F.M. Bickelhaupt (Speaker)
8 Mar 1999
Activity: Lecture / Presentation › Academic
Theoretische Phosphor- und Siliciumchemie Graduiertenkolleg Phosphorchemie
F.M. Bickelhaupt (Speaker)
21 May 1999
Activity: Lecture / Presentation › Academic
The Activation Strain Model of Chemical Reactivity: Rational Design of New Catalysts
F.M. Bickelhaupt (Speaker)
23 Apr 1999
Activity: Lecture / Presentation › Academic