V. Van Speybroeck

Identification of radiation-induced radicals in crystalline sugars: comparing ab-initio calculations with magnetic resonance experiments

E. Pauwels, V. Van Speybroeck, M. Waroquier
Invited talk
Invited stay in the group of Prof. G. Grampp, ESR and Photochemistry group, Technische Universität Graz, Austria
Tuesday, 13 December, 2005 to Wednesday, 14 December, 2005

New developments in the parameterization of force fields based on ab initio training data

T. Verstraelen, D. Van Neck, P.W. Ayers, V. Van Speybroeck, M. Waroquier
http://www.cecam.org/workshop-4-55.html?presentation_id=1290
Talk

Conference / event / venue 

CECAM Workshop: Computational aspects of building blocks, nucleation, and synthesis of porous materials
Lyon, France
Monday, 28 August, 2006 to Thursday, 31 August, 2006

On the activity of rhodium phosphoramidite asymmetric hydrogenation catalysts

V. Van Speybroeck, J.G. de Vries, R.J. Meier, M. Waroquier
http://oasys2.confex.com/acs/232nm/techprogram/P987427.HTM
Talk

Conference / event / venue 

232nd ACS National Meeting, Division of Inorganic Chemistry, Section Organometallic: Catalysis
San Francisco, California, USA
Sunday, 10 September, 2006 to Thursday, 14 September, 2006

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