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Marcus A Neumann

Showing results (1-10 of 23) with videos related to

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The Journal of Physical Chemistry. B|July 23, 2008
Tailor-made force fields for crystal-structure predictionMarcus A Neumann
Journal of Chemical Theory and Computation|March 8, 2018
Evaluation of General and Tailor Made Force Fields via X-ray Thermal Diffuse Scattering Using Molecular Dynamics and Monte Carlo Simulations of Crystalline AspirinEric J Chan, Marcus A Neumann
The Journal of Physical Chemistry. B|July 21, 2006
Energy ranking of molecular crystals using density functional theory calculations and an empirical van der waals correctionMarcus A Neumann, Marc-Antoine Perrin
Acta Crystallographica. Section B, Structural Science|September 16, 2010
Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculationsJacco van de Streek, Marcus A Neumann
Faraday Discussions|July 27, 2018
How many ritonavir cases are there still out there?Marcus A Neumann, Jacco van de Streek
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|December 3, 2014
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)Jacco van de Streek, Marcus A Neumann
Journal of Computational Chemistry|April 25, 2012
Empirical van der Waals corrections to solid-state density functional theory: Iodine and phosphorous containing molecular crystalsJohn Kendrick, Frank J J Leusen, Marcus A Neumann
Angewandte Chemie (International Ed. in English)|February 22, 2008
A major advance in crystal structure predictionMarcus A Neumann, Frank J J Leusen, John Kendrick
Iucrj|March 3, 2017
The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaineXiaozhou Li, Marcus A Neumann, Jacco van de Streek
Chemical Communications (Cambridge, England)|July 10, 2009
Crystal structure determination of the elusive paracetamol Form IIIMarc-Antoine Perrin, Marcus A Neumann, Hagit Elmaleh, et al.
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. B|July 23, 2008
Tailor-made force fields for crystal-structure predictionMarcus A Neumann
Journal of Chemical Theory and Computation|March 8, 2018
Evaluation of General and Tailor Made Force Fields via X-ray Thermal Diffuse Scattering Using Molecular Dynamics and Monte Carlo Simulations of Crystalline AspirinEric J Chan, Marcus A Neumann
The Journal of Physical Chemistry. B|July 21, 2006
Energy ranking of molecular crystals using density functional theory calculations and an empirical van der waals correctionMarcus A Neumann, Marc-Antoine Perrin
Acta Crystallographica. Section B, Structural Science|September 16, 2010
Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculationsJacco van de Streek, Marcus A Neumann
Faraday Discussions|July 27, 2018
How many ritonavir cases are there still out there?Marcus A Neumann, Jacco van de Streek
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|December 3, 2014
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)Jacco van de Streek, Marcus A Neumann
Journal of Computational Chemistry|April 25, 2012
Empirical van der Waals corrections to solid-state density functional theory: Iodine and phosphorous containing molecular crystalsJohn Kendrick, Frank J J Leusen, Marcus A Neumann
Angewandte Chemie (International Ed. in English)|February 22, 2008
A major advance in crystal structure predictionMarcus A Neumann, Frank J J Leusen, John Kendrick
Iucrj|March 3, 2017
The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaineXiaozhou Li, Marcus A Neumann, Jacco van de Streek
Chemical Communications (Cambridge, England)|July 10, 2009
Crystal structure determination of the elusive paracetamol Form IIIMarc-Antoine Perrin, Marcus A Neumann, Hagit Elmaleh, et al.
Pageof 3