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A Ghysels

Showing results (1-10 of 6) with videos related to

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The Journal of Chemical Physics|November 6, 2007
Cartesian formulation of the mobile block Hessian approach to vibrational analysis in partially optimized systemsA Ghysels, D Van Neck, M Waroquier
Journal of Chemical Theory and Computation|December 2, 2015
Calculating Reaction Rates with Partial Hessians: Validation of the Mobile Block Hessian ApproachA Ghysels, V Van Speybroeck, T Verstraelen, et al.
The Journal of Chemical Physics|June 22, 2007
Vibrational modes in partially optimized molecular systemsA Ghysels, D Van Neck, V Van Speybroeck, et al.
The Journal of Chemical Physics|March 5, 2009
Normal modes for large molecules with arbitrary link constraints in the mobile block Hessian approachA Ghysels, D Van Neck, B R Brooks, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in MacromoleculesA Ghysels, V Van Speybroeck, E Pauwels, et al.
Journal of Chemical Theory and Computation|December 9, 2015
A Comparison of Barostats for the Mechanical Characterization of Metal-Organic FrameworksS M J Rogge, L Vanduyfhuys, A Ghysels, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|November 6, 2007
Cartesian formulation of the mobile block Hessian approach to vibrational analysis in partially optimized systemsA Ghysels, D Van Neck, M Waroquier
Journal of Chemical Theory and Computation|December 2, 2015
Calculating Reaction Rates with Partial Hessians: Validation of the Mobile Block Hessian ApproachA Ghysels, V Van Speybroeck, T Verstraelen, et al.
The Journal of Chemical Physics|June 22, 2007
Vibrational modes in partially optimized molecular systemsA Ghysels, D Van Neck, V Van Speybroeck, et al.
The Journal of Chemical Physics|March 5, 2009
Normal modes for large molecules with arbitrary link constraints in the mobile block Hessian approachA Ghysels, D Van Neck, B R Brooks, et al.
Journal of Chemical Theory and Computation|November 27, 2015
Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in MacromoleculesA Ghysels, V Van Speybroeck, E Pauwels, et al.
Journal of Chemical Theory and Computation|December 9, 2015
A Comparison of Barostats for the Mechanical Characterization of Metal-Organic FrameworksS M J Rogge, L Vanduyfhuys, A Ghysels, et al.
Pageof 1