Effect of the (n +1) residue on peptide deamidation S. Catak, J. Felix, V. Van Speybroeck, M. Waroquier, E. Pauwels TalkConference / event / venue ACS Spring 2012 National Meeting & ExpositionSan Diego, USASunday, 25 March, 2012 to Thursday, 29 March, 2012 Read more about Effect of the (n +1) residue on peptide deamidation
Computational Study on the Formation of N-spiro bis-Aziridinium Ions and Their Nucleophile-induced Ring Opening Reactions D. Hertsen, S. Catak, M. Waroquier, M. D'Hooghe, N. De Kimpe, V. Van Speybroeck PosterConference / event / venue QCB10Brussels, BelgiumFriday, 10 February, 2012 Read more about Computational Study on the Formation of N-spiro bis-Aziridinium Ions and Their Nucleophile-induced Ring Opening Reactions
Introducing BSSE as an extra energy term in molecular dynamics M. Van Houteghem, A. Ghysels, T. Verstraelen, V. Van Speybroeck, M. Waroquier, C. Kirschhock, J.A. Martens WP3/8PosterConference / event / venue IAP Annual MeetingLeuven, BelgiumMonday, 21 November, 2011 to Tuesday, 22 November, 2011 Read more about Introducing BSSE as an extra energy term in molecular dynamics
Electronic effects of ligand substitution on Lewis acid catalysis with metal-organic frameworks M. Vandichel, F. Vermoortele, B. Van de Voorde, R. Ameloot, D. De Vos, M. Waroquier, V. Van Speybroeck PosterConference / event / venue IAP Annual MeetingLeuven, BelgiumMonday, 21 November, 2011 to Tuesday, 22 November, 2011 Read more about Electronic effects of ligand substitution on Lewis acid catalysis with metal-organic frameworks
Selectivity prediction for the citronellal cyclization on various catalysts M. Vandichel, S. Cottenie, F. Vermoortele, D. De Vos, M. Waroquier, V. Van Speybroeck PosterConference / event / venue IAP Annual MeetingLeuven, BelgiumMonday, 21 November, 2011 to Tuesday, 22 November, 2011 Read more about Selectivity prediction for the citronellal cyclization on various catalysts
Ab initio parametrized force field for the metal-organic framework MIL-53(Al) to study its framework flexibility L. Vanduyfhuys, T. Verstraelen, M. Vandichel, M. Waroquier, V. Van Speybroeck p. 95-96PosterConference / event / venue ICTAC-14Vlissingen, The NetherlandsTuesday, 26 June, 2012 to Saturday, 30 June, 2012 Read more about Ab initio parametrized force field for the metal-organic framework MIL-53(Al) to study its framework flexibility
Kinetic study on key reaction steps in methanol-to-olefin conversion: influence of catalyst topology J. Van der Mynsbrugge, J. De Ridder, K. Hemelsoet, M. Waroquier, V. Van Speybroeck p. 136TalkConference / event / venue XIIIth Netherlands' Catalysis and Chemistry Conference (NCCC XIII)Noordwijkerhout, The NetherlandsMonday, 5 March, 2012 to Wednesday, 7 March, 2012 Read more about Kinetic study on key reaction steps in methanol-to-olefin conversion: influence of catalyst topology
Kinetic study on the effects of zeolite topology on methylation reactions in the methanol-to-olefins process J. Van der Mynsbrugge, J. De Ridder, K. Hemelsoet, M. Waroquier, V. Van Speybroeck p. 83-84PosterConference / event / venue ICTAC-14Vlissingen, The NetherlandsTuesday, 26 June, 2012 to Saturday, 30 June, 2012 Read more about Kinetic study on the effects of zeolite topology on methylation reactions in the methanol-to-olefins process
Valence Force Fields for Microporous Materials T. Verstraelen, L. Vanduyfhuys, V. Van Speybroeck, M. Waroquier p. 114-115TalkConference / event / venue ICTAC-14Vlissingen, The NetherlandsTuesday, 26 June, 2012 to Saturday, 30 June, 2012 Read more about Valence Force Fields for Microporous Materials
Identification of Carbonaceous Compounds in H-SAPO-34: a Combined TDDFT and In-situ Spectroscopy Study K. Hemelsoet, Q. Qian, K. De Wispelaere, J. Van der Mynsbrugge, M. Waroquier, B.M. Weckhuysen, V. Van Speybroeck p. 74TalkConference / event / venue ZMPC2012Hiroshima, JapanSaturday, 28 July, 2012 to Wednesday, 1 August, 2012 Read more about Identification of Carbonaceous Compounds in H-SAPO-34: a Combined TDDFT and In-situ Spectroscopy Study