Comité organizador

Electroquímica

Maestría
Doctorado

Nivel 1

Lic. Abigail de Jesús Pérez
Ing. Alejandra Rodríguez Alfaro
Dr. Francisco Javier Rodríguez Valadez
Dra. Linda Victoria González Gutiérrez
Dr. Luis Antonio Ortiz Frade
Dra. María Yolanda Reyes Vidal
Lic. Claudia Nava Talledos
Lic. Nicte-ha Flores Borbolla
Ing. Oscar García Rojas
Ing. Oscar García Rojas

Prof. Dr. F. Matthias Bickelhaupt

Presentación

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, 3Elementary Chemical Reactions [see: Activation Strain modelPyfrag], 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.

Formación Académica

Universiteit Amsterdam, Amsterdam, Netherlands

Actividades de Investigación

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)2011ActivityPeer 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)

2011

ActivityPeer review and Editorial work › Editorial work › Academic

Fragmentoorientiertes Katalysatordesign und das ATS-MOdell der chemischen Reaktivatat

F.M. Bickelhaupt (Speaker)

9 May 2000

ActivityLecture / Presentation › Academic

Hydrogen Bonding in DNA : Tackling a Biological Molecule with ADF

F.M. Bickelhaupt (Speaker)

6 Oct 2000

ActivityLecture / Presentation › Academic

Fragment-Oriented Design of Catalysts and the Activation-Strain Model

F.M. Bickelhaupt (Speaker)

18 Jul 2000

ActivityLecture / Presentation › Academic

Baseninduzierte 1,4-Eliminierung in der Gasphase: Experiment und Theorie

F.M. Bickelhaupt (Speaker)

11 May 2000

ActivityLecture / Presentation › Academic

The Nature of Molecular Recognition and Hydrogen Bonding in DNA

F.M. Bickelhaupt (Speaker)

7 Dec 2000

ActivityLecture / Presentation › Academic

The Activation Strain Model: Towards a Rational Design of Homogeneous Catalysts

F.M. Bickelhaupt (Speaker)

6 Oct 2000

ActivityLecture / Presentation › Academic

DNA: Tackling a Biological Molecule with ADF

F.M. Bickelhaupt (Speaker)

2 Jun 2000

ActivityLecture / Presentation › Academic

DNA: Tackling a Biological Molecule with ADF

F.M. Bickelhaupt (Speaker)

1 Jun 2000

ActivityLecture / Presentation › Academic

The Activation Strain Model : Understanding and Directing Chemical Reactivity

F.M. Bickelhaupt (Speaker)

24 Jan 2000

ActivityLecture / Presentation › Academic

DNA: Tackling a Biological Molecule with ADF

F.M. Bickelhaupt (Speaker)

31 May 2000

ActivityLecture / Presentation › Academic

DNA : Tackling a Biological Molecule with ADF

F.M. Bickelhaupt (Speaker)

30 May 2000

ActivityLecture / Presentation › Academic

Die Konzepte “Aktivierungsspannung” und “TS-Wechselwirkung” als Basis für ein Reaktivitätsmodell

F.M. Bickelhaupt (Speaker)

22 Mar 1999

ActivityLecture / Presentation › Academic

Organomagnesiumchemie nach Victor Grignard: noch neues nach 99 Jahren

F.M. Bickelhaupt (Speaker)

26 Nov 1999

ActivityLecture / Presentation › Academic

The Activation Strain Model of Chemical Reactivity: Rotational Design of New Catalysts.

F.M. Bickelhaupt (Speaker)

22 Apr 1999

ActivityLecture / Presentation › Academic

The Activation Strain Model of Chemical Reactivity: Rational Design of New Catalysts

F.M. Bickelhaupt (Speaker)

20 Apr 1999

ActivityLecture / Presentation › Academic

A Reactivity Model Based on the Ideas of “Activation Strain” and “TS Interaction”

F.M. Bickelhaupt (Speaker)

10 Mar 1999

ActivityLecture / Presentation › Academic

The Activation Strain Model of Chemical Reactivity.

F.M. Bickelhaupt (Speaker)

15 Feb 1999

ActivityLecture / Presentation › Academic

The Activation Strain Model of Chemical Reactivity: Rational Design of New Catalysts

F.M. Bickelhaupt (Speaker)

19 Apr 1999

ActivityLecture / Presentation › Academic

The ideas of “Activation Strain” and “TS Interaction” as Basis for a Reactivity Model.

F.M. Bickelhaupt (Speaker)

8 Mar 1999

ActivityLecture / Presentation › Academic

Theoretische Phosphor- und Siliciumchemie Graduiertenkolleg Phosphorchemie

F.M. Bickelhaupt (Speaker)

21 May 1999

ActivityLecture / Presentation › Academic

The Activation Strain Model of Chemical Reactivity: Rational Design of New Catalysts

F.M. Bickelhaupt (Speaker)

23 Apr 1999

ActivityLecture / Presentation › Academic

Enlace

Comité Organizador
FIIS – 2022
posgrado@cideteq.mx

Horario de atención: de 8:30 a 17:30 hrs.

Foro para la Investigación con Impacto Social – 2022