Normal modes in partially optimized molecular systems
Poster
Conference / event / venue
Doctoral Symposium
Ghent Univeristy, Faculty of Engineering, Ghent, Belgium
Wednesday, 5 December, 2007
D. Van Neck
Normal modes in partially optimized molecular systems
Poster
Conference / event / venue
SimBioMa 2008
Konstanz, Germany
Wednesday, 2 April, 2008 to Saturday, 5 April, 2008
An efficient approach for the calculation of frequencies in macromolecules
Poster
Conference / event / venue
MolSim 2009 course
Universiteit Amsterdam, The Netherlands
Monday, 5 January, 2009 to Friday, 16 January, 2009
Normal mode calculations with the QM/MM full Hessian and the Mobile Block Hessian (MBH) method
Poster
Conference / event / venue
7th Canadian Computational Chemistry Conference
Halifax, Canada
Monday, 20 July, 2009 to Friday, 24 July, 2009
Chemical implications of variational second-order density matrix theory: study of diatomic molecules along the potential energy curve
Poster
Conference / event / venue
Workshop on Quantum Marginals and Density Matrices
Toronto, Canada
Monday, 27 July, 2009 to Friday, 31 July, 2009
Normal mode calculations with the QM/MM full Hessian and the Mobile Block Hessian (MBH) method
Poster
Conference / event / venue
Quantum Chemistry in Belgium 9th edition
Louvain-la-Neuve, Belgium
Tuesday, 26 January, 2010
Ab initio calculations on the enthalpy of formation in the FeCr-system
Poster
Conference / event / venue
CAMD Summer School 2010
Lyngby, Denmark
Saturday, 14 August, 2010 to Friday, 20 August, 2010
Efficient calculation of QM/MM frequencies with the Mobile Block Hessian
Poster
Conference / event / venue
Gordon Research Conference - Computational Chemistry
Les Diablerets, Switzerland
Sunday, 29 August, 2010 to Friday, 3 September, 2010
A new challenge to molecular spectroscopy: The quadrupole shift as a second order correction to the isomer shift
Poster
Conference / event / venue
High Resolution Molecular Spectroscopy 2009
Castellamare di Stabia, Italy
Tuesday, 31 August, 2010 to Saturday, 4 September, 2010
Electron penetration into the nucleus and its effect on the quadrupole interaction
P. 226
Poster
Conference / event / venue
Psi-k Conference
Berlin, Germany
Sunday, 12 September, 2010 to Thursday, 16 September, 2010
Pages
