V. Van Speybroeck

A mechanistic investigation of the manganese-salen epoxidation

T. Bogaerts, A. Van Yperen-De Deyne, S. Wouters, D. Van Neck, P. Van der Voort, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

15th International Conference on Theoretical Aspects of Catalysis (ICTAC15)

London, United Kingdom

Monday, 30 June, 2014 to Friday, 4 July, 2014

Modulating active sites in MOFs for improved Lewis acid or base catalysis

F. Vermoortele, P. Valvekens, A. Vimont, V. Van Speybroeck

1116-INOR

ISBN/ISSN: 0065-7727

Talk

Conference / event / venue

245th National Spring Meeting of the American-Chemical-Society (ACS)

New Orleans, USA

Sunday, 7 April, 2013 to Thursday, 11 April, 2013

Constant load testing with in-situ hydrogen charging on martensitic ultra

L. Duprez, M. Arafin, F. Van den Abeele, N. Bernier, D.B. Rosado, J. De Mey, V. Van Speybroeck

133-146

ISBN/ISSN: 9789081794206

Talk

Conference / event / venue

Steely Hydrogen Conference

Ghent, Belgium

Wednesday, 28 September, 2011 to Thursday, 29 September, 2011

Extended Hirshfeld: Atomic charges that combine accurate electrostatics with transferability

T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier

COMP 294

ISBN/ISSN:

Poster

Conference / event / venue

247th ACS National Meeting & Exposition

Dallas, USA

Sunday, 16 March, 2014 to Thursday, 20 March, 2014

Charge transfer in polarizable force fields: Importance of the electronic kinetic energy

T. Verstraelen, P.W. Ayers, V. Van Speybroeck, M. Waroquier

COMP43

ISBN/ISSN:

Talk

Conference / event / venue

247th ACS National Meeting & Exposition

Dallas, USA

Sunday, 16 March, 2014 to Thursday, 20 March, 2014

A method for investigating radiation damage

S.G. Aalbergsjø, E. Pauwels, A. Van Yperen-De Deyne, V. Van Speybroeck, E. Sagstuen

ISBN/ISSN:

Talk

Conference / event / venue

Semi-Annual Norwegian Biophysics meeting

Oslo, Norway

Thursday, 6 March, 2014 to Friday, 7 March, 2014

DFT vs. reality: the error budget

S. Cottenier, K. Lejaeghere, J. Jaeken, V. Van Speybroeck

ISBN/ISSN:

Invited talk

Conference / event / venue

International workshop on computational physics and materials science ("Total energy and force methods")

Lausanne, Switzerland

Thursday, 9 January, 2014 to Saturday, 11 January, 2014

Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations

J. Van der Mynsbrugge, S.L. Moors, K. De Wispelaere, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

15th International Conference on Theoretical Aspects of Catalysis (ICTAC15)

London, United Kingdom

Monday, 30 June, 2014 to Friday, 4 July, 2014

Molecular dynamics study of diffusion in 8-ring zeolites

S.L. Moors, A. Ghysels, K. De Wispelaere, K. Hemelsoet, V. Van Speybroeck, M. Waroquier

1

ISBN/ISSN:

Talk

Conference / event / venue

NCCC XV

Noordwijkerhout

Monday, 10 March, 2014 to Wednesday, 12 March, 2014

A mechanistic investigation of the manganese-salen epoxidation

Conference / event / venue

Modulating active sites in MOFs for improved Lewis acid or base catalysis

Conference / event / venue

Constant load testing with in-situ hydrogen charging on martensitic ultra

Conference / event / venue

Extended Hirshfeld: Atomic charges that combine accurate electrostatics with transferability

Conference / event / venue

Charge transfer in polarizable force fields: Importance of the electronic kinetic energy

Conference / event / venue

A method for investigating radiation damage

Conference / event / venue

DFT vs. reality: the error budget

Conference / event / venue

Insight into the formation and reactivity of framework-bound methoxide species in H-ZSM-5 from static and dynamic molecular simulations

Conference / event / venue

Molecular dynamics study of diffusion in 8-ring zeolites

Conference / event / venue

Titania nanoparticles in Metal-Organic Frameworks: novel catalyst design by a combined experimental and theoretical approach

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V. Van Speybroeck

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