Theochem - User contributions [en]

Groupmeeting

2022-02-03T12:54:32Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Etienne Walraven || TCC || Tuesday, February-8-2022 || 11:00 || Zoom || Nuclear tunneling events in low-temperature glasses
|-
| Ad van der Avoird || TCC || Tuesday, February-1-2022 || 11:00 || Zoom || The ammonia dimer story
|-
| Bernadette Mohr || UvA || Tuesday, December-14-2021 || 11:00 || Zoom || Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations
|-
| Saba Ghasemlou || TCC || Tuesday, November-23-2021 || 11:00 || Zoom || tba
|-
| Maximilian Menger || Groningen || Tuesday, November-16-2021 || 11:00 || Zoom || Non-adiabatic Molecular Dynamics: A data-driven approach
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
Christmas Break
* 1 Feb Ad
* 8 Feb Etienne Walraven
* 15 Feb Alberto Pérez de Alba Ortíz (Utrecht)
* 22 Feb Herma
* 8 Mar Marijn Man
* 15 Mar Derk Kooi (VU)
* 22 Mar Erwan Privat
* 29 Mar Tijs
* 5 Apr Malek Ben Khalifa (KU Leuven)
* 12 Apr Kim Steenbakkers
* 19 Apr Roel van de Ven
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2022-02-01T15:14:32Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Ad van der Avoird || TCC || Tuesday, February-1-2022 || 11:00 || Zoom || The ammonia dimer story
|-
| Bernadette Mohr || UvA || Tuesday, December-14-2021 || 11:00 || Zoom || Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations
|-
| Saba Ghasemlou || TCC || Tuesday, November-23-2021 || 11:00 || Zoom || tba
|-
| Maximilian Menger || Groningen || Tuesday, November-16-2021 || 11:00 || Zoom || Non-adiabatic Molecular Dynamics: A data-driven approach
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
Christmas Break
* 1 Feb Ad
* 8 Feb Etienne Walraven
* 15 Feb Alberto Pérez de Alba Ortíz (Utrecht)
* 22 Feb Herma
* 8 Mar Marijn Man
* 15 Mar Derk Kooi (VU)
* 22 Mar Erwan Privat
* 29 Mar Gerrit
* 5 Apr Malek Ben Khalifa (KU Leuven)
* 12 Apr Kim Steenbakkers
* 19 Apr Roel van de Ven
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2022-02-01T08:55:57Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Ad van der Avoird || TCC || Tuesday, February-1-2022 || 11:00 || Zoom || The ammonia dimer story
|-
| Bernadette Mohr || UvA || Tuesday, December-14-2021 || 11:00 || Zoom || Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations
|-
| Saba Ghasemlou || TCC || Tuesday, November-23-2021 || 11:00 || Zoom || tba
|-
| Maximilian Menger || Groningen || Tuesday, November-16-2021 || 11:00 || Zoom || Non-adiabatic Molecular Dynamics: A data-driven approach
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
Christmas Break
* 1 Feb Ad
* 8 Feb Etienne Walraven
* 15 Feb Alberto Pérez de Alba Ortíz (Utrecht)
* 22 Feb Herma
* 8 Mar Marijn Man
* 15 Mar Derk Kooi (VU)
* 22 Mar Erwan Privat
* 29 Mar Gerrit
* 5 Apr External speaker
* 12 Apr Kim Steenbakkers
* 19 Apr Roel van de Ven
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2022-01-05T15:04:48Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Ad van der Avoird || TCC || Tuesday, February-1-2022 || 11:00 || Zoom || The ammonia dimer story
|-
| Bernadette Mohr || UvA || Tuesday, December-14-2021 || 11:00 || Zoom || Rational discovery of cardiolipin-selective small molecules by coarse-grained high-throughput simulations
|-
| Saba Ghasemlou || TCC || Tuesday, November-23-2021 || 11:00 || Zoom || tba
|-
| Maximilian Menger || Groningen || Tuesday, November-16-2021 || 11:00 || Zoom || Non-adiabatic Molecular Dynamics: A data-driven approach
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
Christmas Break
* 1 Feb Ad
* 8 Feb Marijn Man
* 15 Feb Alberto Pérez de Alba Ortíz (Utrecht)
* 22 Feb Herma
* 8 Mar Etienne Walraven
* 15 Mar Derk Kooi (VU)
* 22 Mar Erwan Privat
* 29 Mar Gerrit
* 5 Apr External speaker
* 12 Apr Kim Steenbakkers
* 19 Apr Tijs
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-11-24T08:06:29Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Alberto Pérez de Alba Ortíz || Utrecht || Tuesday, November-30-2021 || 11:00 || Zoom || Traversing the free-energy pathways of intricate biomolecular processes
|-
| Saba Ghasemlou || TCC || Tuesday, November-23-2021 || 11:00 || Zoom || tba
|-
| Maximilian Menger || Groningen || Tuesday, November-16-2021 || 11:00 || Zoom || Non-adiabatic Molecular Dynamics: A data-driven approach
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Nov 30 No meeting
* Dec 7 CHAINS
* Dec 14 Bernadette Mohr (UvA)
* Dec 21 MSc Taha Selim

Christmas Break

* 1 Feb Ad
* 8 Feb Marijn Man
* 15 Feb Alberto Pérez de Alba Ortíz (Utrecht)
* 22 Feb Herma
* 8 Mar Etienne Walraven
* 15 Mar External speaker
* 22 Mar Erwan Privat
* 29 Mar Gerrit
* 5 Apr External speaker
* 12 Apr Kim Steenbakkers
* 19 Apr Tijs
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-11-08T13:10:37Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Steven Holleman || TCC || Tuesday, November-02-2021 || 14:30 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Nov 9
* Nov 16 Maximilian Menger (Groningen)
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Alberto Pérez de Alba Ortíz (Utrecht)
* Dec 7 CHAINS
* Dec 14 Bernadette Mohr (UvA)
* Dec 21 MSc Taha Selim

Christmas Break

* 1 Feb Ad
* 8 Feb Marijn Man
* 15 Feb External speaker
* 22 Feb Herma
* 8 Mar Etienne Walraven
* 15 Mar External speaker
* 22 Mar Erwan Privat
* 29 Mar Gerrit
* 5 Apr External speaker
* 12 Apr Kim Steenbakkers
* 19 Apr Tijs
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-11-08T09:57:26Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Steven Holleman || TCC || Tuesday, November-02-2021 || 14:30 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Oct 26 Jesús Pérez Ríos (Fritz Haber)
* Nov 2 11.00 Interstellar Catalysis - 14.30 Steven Holleman
* Nov 9 MSc Marijn Man
* Nov 16 Maximilian Menger (Groningen)
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Alberto Pérez de Alba Ortíz (Utrecht)
* Dec 7 CHAINS
* Dec 14 Bernadette Mohr (UvA)
* Dec 21 MSc Taha Selim

Christmas Break

* 1 Feb Ad
* 8 Feb Marijn Man
* 15 Feb External speaker
* 22 Feb Herma
* 8 Mar Etienne Walraven
* 15 Mar External speaker
* 22 Mar Erwan Privat
* 29 Mar Gerrit
* 5 Apr External speaker
* 12 Apr Kim Steenbakkers
* 19 Apr Tijs
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-11-08T09:57:13Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Steven Holleman || TCC || Tuesday, November-02-2021 || 14:30 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, November-02-2021 || 11:00 || Zoom || Energy dissipation and restructuring in interstellar ice
|-
| Jesús Pérez Ríos || Fritz Haber || Tuesday, October-26-2021 || 11:00 || Zoom || Few-body processes in atom-ion hybrid systems
|-
| Dipanshu Kumar || TCC || Tuesday, October-19-2021 || 11:00 || Zoom || Energy transfer in formaldehyde-graphene collision
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Oct 26 Jesús Pérez Ríos (Fritz Haber)
* Nov 2 11.00 Interstellar Catalysis - 14.30 Steven Holleman
* Nov 9 MSc Marijn Man
* Nov 16 Maximilian Menger (Groningen)
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Alberto Pérez de Alba Ortíz (Utrecht)
* Dec 7 CHAINS
* Dec 14 Bernadette Mohr (UvA)
* Dec 21 MSc Taha Selim
* 1 Feb Ad
* 8 Feb Marijn Man
* 15 Feb External speaker
* 22 Feb Herma
* 8 Mar Etienne Walraven
* 15 Mar External speaker
* 22 Mar Erwan Privat
* 29 Mar Gerrit
* 5 Apr External speaker
* 12 Apr Kim Steenbakkers
* 19 Apr Tijs
* 26 Apr External speaker
* 10 May Mart Simons
* 17 May Gerrit
* 24 May External speaker
* 31 May Saba Ghasemlou
* 7 Jun Daria
* 14 Jun External speaker
* 21 Jun Dipanshu Kumar
* 28 Jun Gilles

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-09-30T13:17:15Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 28 Gerrit
* Oct 5 Alice Cuzzocrea (Twente)
* Oct 12 Steven Holleman
* Oct 19 Daria / volunteer?
* Oct 26 Jesús Pérez Ríos (Fritz Haber)
* Nov 2 Interstellar Catalysis
* Nov 9 MSc Marijn Man
* Nov 16 Maximilian Menger (Groningen)
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 Bernadette Mohr (UvA)
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-09-30T09:08:51Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Alice Cuzzocrea || Twente || Tuesday, October-05-2021 || 11:00 || Zoom || Modeling photo-excitations with quantum Monte Carlo
|-
| Gerrit Groenenboom || TCC || Tuesday, September-28-2021 || 11:00 || Zoom || Anharmonic vibrations
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 28 Gerrit
* Oct 5 Alice Cuzzocrea (Twente)
* Oct 12 Steven Holleman
* Oct 19 Daria / volunteer?
* Oct 26 Jesús Pérez Ríos (Fritz Haber)
* Nov 2 Interstellar Catalysis
* Nov 9 MSc Marijn Man
* Nov 16 Maximilian Menger (Groningen)
* Nov 23 MSc Taha Selim
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Saba Ghasemlou
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-09-27T05:42:52Z

Tijs: /* Preliminary schedule, subject to change */

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 14 Tijs / External speaker
* Sept 21 MSc Mart Simons
* Sept 28 Gerrit
* Oct 5 Alice Cuzzocrea (Twente)
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 Jesús Pérez Ríos (Fritz Haber)
* Nov 2 Interstellar Catalysis
* Nov 9 MSc Marijn Man
* Nov 16 Maximilian Menger (Groningen)
* Nov 23 MSc Taha Selim
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Saba Ghasemlou
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-09-27T05:37:33Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 14 Tijs / External speaker
* Sept 21 MSc Mart Simons
* Sept 28 Gerrit
* Oct 5 Alice Cuzzocrea (Twente)
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 Jesús Pérez Ríos (Fritz Haber)
* Nov 2 Interstellar Catalysis
* Nov 9 MSc Marijn Man
* Nov 16 External speaker
* Nov 23 MSc Taha Selim
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Saba Ghasemlou
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-09-01T14:56:52Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 14 Tijs / External speaker
* Sept 21 MSc Mart Simons
* Sept 28 Gerrit
* Oct 5 Alice Cuzzocrea (Twente)
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 External speaker
* Nov 2 Interstellar Catalysis
* Nov 9 MSc Marijn Man
* Nov 16 External speaker
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-08-31T07:51:21Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 14 Tijs / External speaker
* Sept 21 MSc Mart Simons
* Sept 28 Gerrit
* Oct 5 External speaker
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 External speaker
* Nov 2 Interstellar Catalysis
* Nov 9 MSc Marijn Man
* Nov 16 External speaker
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-08-27T15:23:20Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 14 Tijs / External speaker
* Sept 21 MSc Mart Simons
* Sept 28 Gerrit
* Oct 5 External speaker
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 External speaker
* Nov 2 MSc Marijn Man
* Nov 9 Gilles / volunteer?
* Nov 16 External speaker
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-08-27T15:21:22Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Caroline Stadler || TCC || Tuesday, July-27-2021 || 11:00 || Zoom || The gas-grain modelling of the chemical evolution of molecular clouds as a function of metallicity
|-
| Flavio Siro Brigiano || VU Brussel || Tuesday, July-22-2021 || 11:00 || Zoom || Reactivity at aqueous interfaces by enhanced sampling MD simulations
|-
| MSc Saba Ghasemlou || TCC || Tuesday, July-13-2021 || 11:00 || Zoom || Simulation of the phase transition in DL-methionine
|-
| Erwan Privat || TCC || Tuesday, July-06-2021 || 11:00 || Zoom || Quantum dynamics of the oxygen isotopic exchange: lifetimes of metastable states of the ozone intermediate complex
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* Sept 7 Tijs
* Sept 14 External speaker
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 External speaker
* Nov 2 MSc Marijn Man
* Nov 9 Gilles / volunteer?
* Nov 16 External speaker
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-06-24T05:38:22Z

Tijs:

== Group meeting schedule Theoretical and Computational Chemistry ==

{| class="wikitable"
! Name !! from !! date !! time !! location || title
|-
| Fabian Berger || HU Berlin || Tuesday, June-29-2021 || 11:00 || Zoom || MD Simulations with Chemical Accuracy - Adsorption in Zeolites
|-
| Daria Galimberti || TCC || Tuesday, June-22-2021 || 11:00 || Zoom || Vibrational specrtra from MD simulations: strengths and weaknesses
|-
| Lieke Geessinck || TCC || Tuesday, June-15-2021 || 11:00 || Zoom || Potential energy surfaces of the tagged Renner Teller ion C2H+
|-
| Mattew D. Frye || Durham University || Tuesday, June-08-2021 || 11:00 || Zoom || tba
|-
| Prof. Herma Cuppen || TCC || Tuesday, June-01-2021 || 11:00 || Zoom || tba
|-
| MSc Kim Steenbakkers || FELIX+TCC || Tuesday, May-25-2021 || 11:00 || Zoom || Elucidation of Renner-Teller and spin-orbit splitting patterns for Ne-C2H+ weakly bound complex
|-
|}

== Preliminary schedule, subject to change ==
* June 29 Fabian Berger (HU Berlin)
* July 6 Erwan Privat
* July 13 MSc Saba Ghasemlou
* July 20 Flavio Siro Brigiano (VU Brussel)
* Aug 31 Gerrit / volunteer?
* Sept 7 Gilles / volunteer?
* Sept 14 External speaker
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 External speaker
* Nov 2 MSc Marijn Man
* Nov 9 Gilles / volunteer?
* Nov 16 External speaker
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

== History, 2011-2016 ==
[http://www.theochem.ru.nl/meeting.html Meetings 2011-2016]

Groupmeeting

2021-05-23T10:16:38Z

Tijs:

Test schedule

* May 25 MSc Kim Steenbakkers
* June 1 Herma
* June 8 Matthew D. Frye (Durham University)
* June 15 Lieke Geessinck
* June 22 Daria / volunteer?
* June 29 Fabian Berger (HU Berlin)
* July 6 Tijs / volunteer?
* July 13 MSc Saba Ghasemlou
* July 20 Flavio Siro Brigiano (VU Brussel)
* Aug 31 Gerrit / volunteer?
* Sept 7 Gilles / volunteer?
* Sept 14 External speaker
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 External speaker
* Nov 2 MSc Marijn Man
* Nov 9 Gilles / volunteer?
* Nov 16 External speaker
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

Groupmeeting

2021-05-23T09:39:34Z

Tijs:

Test schedule

* May 25 MSc Kim Steenbakkers
* June 1 Herma
* June 8 Matthew D. Frye (Durham University)
* June 15 MSc Saba Ghasemlou
* June 22 Daria / volunteer?
* June 29 Fabian Berger (HU Berlin)
* July 6 Tijs / volunteer?
* July 13 MSc Matthieu Besemer
* July 20 Flavio Siro Brigiano (VU Brussel)
* Aug 31 Gerrit / volunteer?
* Sept 7 Gilles / volunteer?
* Sept 14 External speaker
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker
* Oct 12 MSc Taha Selim
* Oct 19 Daria / volunteer?
* Oct 26 External speaker
* Nov 2 MSc Marijn Man
* Nov 9 Gilles / volunteer?
* Nov 16 External speaker
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs / volunteer?
* Dec 7 External speaker
* Dec 14 MSc Taha Selim
* Dec 21 Ad / volunteer?

Groupmeeting

2021-05-23T07:38:21Z

Tijs:

Test schedule

* May 25 MSc Kim Steenbakkers
* June 1 Herma
* June 8 Matthew D. Frye (Durham University)
* June 15 MSc Saba Ghasemlou
* June 22 Daria
* June 29 Fabian Berger (HU Berlin)
* July 6 Tijs
* July 13 MSc Matthieu Besemer
* July 20 Flavio Siro Brigiano (VU Brussel)
* Aug 31 Gerrit
* Sept 7 Gilles
* Sept 14 External speaker / volunteer?
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker / volunteer?
* Oct 12 MSc Taha Selim
* Oct 19 Daria
* Oct 26 External speaker / volunteer?
* Nov 2 MSc Marijn Man
* Nov 9 Gilles
* Nov 16 External speaker / volunteer?
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs
* Dec 7 External speaker / volunteer?
* Dec 14 MSc Taha Selim
* Dec 21 Ad

Groupmeeting

2021-05-21T06:17:30Z

Tijs:

Test schedule

* May 25 MSc Kim Steenbakkers
* June 1 Herma
* June 8 Matthew D. Frye (Durham University)
* June 15 MSc Saba Ghasemlou
* June 22 Daria
* June 29 External speaker / volunteer?
* July 6 Tijs
* July 13 MSc Matthieu Besemer
* July 20 External speaker / volunteer?
* Aug 31 Gerrit
* Sept 7 Gilles
* Sept 14 External speaker / volunteer?
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker / volunteer?
* Oct 12 MSc Taha Selim
* Oct 19 Daria
* Oct 26 External speaker / volunteer?
* Nov 2 MSc Marijn Man
* Nov 9 Gilles
* Nov 16 External speaker / volunteer?
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs
* Dec 7 External speaker / volunteer?
* Dec 14 MSc Taha Selim
* Dec 21 Ad

Groupmeeting

2021-05-11T08:57:43Z

Tijs:

Test schedule

* May 25 MSc Kim Steenbakkers
* June 1 Herma
* June 8 External speaker / volunteer?
* June 15 MSc Saba Ghasemlou
* June 22 Daria
* June 29 External speaker / volunteer?
* July 6 Tijs
* July 13 MSc Matthieu Besemer
* July 20 External speaker / volunteer?
* Aug 31 Gerrit
* Sept 7 Gilles
* Sept 14 External speaker / volunteer?
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker / volunteer?
* Oct 12 MSc Taha Selim
* Oct 19 Daria
* Oct 26 External speaker / volunteer?
* Nov 2 MSc Marijn Man
* Nov 9 Gilles
* Nov 16 External speaker / volunteer?
* Nov 23 MSc Saba Ghasemlou
* Nov 30 Gijs
* Dec 7 External speaker / volunteer?
* Dec 14 MSc Taha Selim
* Dec 21 Ad

Groupmeeting

2021-05-11T08:49:39Z

Tijs:

Test schedule

* May 25 MSc Kim Steenbakkers
* June 1 Herma
* June 8 External speaker / volunteer?
* June 15 Daria
* June 22 Gerrit
* June 29 External speaker / volunteer?
* July 6 Tijs
* July 13 MSc Marijn Man
* July 20 External speaker / volunteer?
* Aug 31 MSc Saba Ghasemlou
* Sept 7 Gilles
* Sept 14 External speaker / volunteer?
* Sept 21 MSc Mart Simons
* Sept 28 MSc Matthieu Besemer
* Oct 5 External speaker / volunteer?
* Oct 12 MSc Taha Selim
* Oct 19 Daria
* Oct 26 External speaker / volunteer?
* Nov 2 Gijs
* Nov 9 Gilles
* Nov 16 External speaker / volunteer?
* Nov 23 MSc Saba Ghasemlou
* Nov 30 MSc Matthieu Besemer
* Dec 7 External speaker / volunteer?
* Dec 14 MSc Taha Selim
* Dec 21 Ad

Groupmeeting

2021-05-11T08:40:24Z

Tijs: Created page with "test"

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