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Marcus A Neumann

Showing results (11-20 of 23) with videos related to

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Faraday Discussions|July 28, 2018
The importance of configurational disorder in crystal structure prediction: the case of loratadineGrahame R Woollam, Marcus A Neumann, Trixie Wagner, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 18, 2011
Progress in crystal structure predictionJohn Kendrick, Frank J J Leusen, Marcus A Neumann, et al.
Science Advances|February 13, 2019
Reliable and practical computational description of molecular crystal polymorphsJohannes Hoja, Hsin-Yu Ko, Marcus A Neumann, et al.
The Journal of Physical Chemistry. B|December 3, 2009
Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystalsAldi Asmadi, Marcus A Neumann, John Kendrick, et al.
The Journal of Chemical Physics|July 8, 2008
Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphsPanagiotis G Karamertzanis, Graeme M Day, Gareth W A Welch, et al.
Journal of Chemical Theory and Computation|August 5, 2022
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force FieldsAlessandra Mattei, Richard S Hong, Hanno Dietrich, et al.
Journal of the American Chemical Society|December 10, 2025
A Conceptual Framework for the Crystallizability of Organic CompoundsJacco van de Streek, Hanno Dietrich, Dzmitry Firaha, et al.
Nature|November 8, 2023
Predicting crystal form stability under real-world conditionsDzmitry Firaha, Yifei Michelle Liu, Jacco van de Streek, et al.
Acta Crystallographica. Section B, Structural Science|March 21, 2009
Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind testGraeme M Day, Timothy G Cooper, Aurora J Cruz-Cabeza, et al.
Acta Crystallographica. Section B, Structural Science|November 22, 2011
Towards crystal structure prediction of complex organic compounds--a report on the fifth blind testDavid A Bardwell, Claire S Adjiman, Yelena A Arnautova, et al.
Pageof 3

Showing results (11-20 of 23) with videos related to

Sort By:
Pageof 3
Faraday Discussions|July 28, 2018
The importance of configurational disorder in crystal structure prediction: the case of loratadineGrahame R Woollam, Marcus A Neumann, Trixie Wagner, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|October 18, 2011
Progress in crystal structure predictionJohn Kendrick, Frank J J Leusen, Marcus A Neumann, et al.
Science Advances|February 13, 2019
Reliable and practical computational description of molecular crystal polymorphsJohannes Hoja, Hsin-Yu Ko, Marcus A Neumann, et al.
The Journal of Physical Chemistry. B|December 3, 2009
Revisiting the blind tests in crystal structure prediction: accurate energy ranking of molecular crystalsAldi Asmadi, Marcus A Neumann, John Kendrick, et al.
The Journal of Chemical Physics|July 8, 2008
Modeling the interplay of inter- and intramolecular hydrogen bonding in conformational polymorphsPanagiotis G Karamertzanis, Graeme M Day, Gareth W A Welch, et al.
Journal of Chemical Theory and Computation|August 5, 2022
Efficient Crystal Structure Prediction for Structurally Related Molecules with Accurate and Transferable Tailor-Made Force FieldsAlessandra Mattei, Richard S Hong, Hanno Dietrich, et al.
Journal of the American Chemical Society|December 10, 2025
A Conceptual Framework for the Crystallizability of Organic CompoundsJacco van de Streek, Hanno Dietrich, Dzmitry Firaha, et al.
Nature|November 8, 2023
Predicting crystal form stability under real-world conditionsDzmitry Firaha, Yifei Michelle Liu, Jacco van de Streek, et al.
Acta Crystallographica. Section B, Structural Science|March 21, 2009
Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind testGraeme M Day, Timothy G Cooper, Aurora J Cruz-Cabeza, et al.
Acta Crystallographica. Section B, Structural Science|November 22, 2011
Towards crystal structure prediction of complex organic compounds--a report on the fifth blind testDavid A Bardwell, Claire S Adjiman, Yelena A Arnautova, et al.
Pageof 3