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Topics in Current Chemistry
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February 7, 2014
General computational algorithms for ab initio crystal structure prediction for organic molecules
Constantinos C Pantelides, Claire S Adjiman, Andrei V Kazantsev
Journal of Chemical Theory and Computation
|
November 18, 2015
Efficient Handling of Molecular Flexibility in Ab Initio Generation of Crystal Structures
Matthew Habgood, Isaac J Sugden, Andrei V Kazantsev, et al.
Acta Crystallographica. Section B, Structural Science
|
November 21, 2012
The polymorphs of ROY: application of a systematic crystal structure prediction technique
Manolis Vasileiadis, Andrei V Kazantsev, Panagiotis G Karamertzanis, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction
Panagiotis G Karamertzanis, Andrei V Kazantsev, Nizar Issa, et al.
International Journal of Pharmaceutics
|
April 19, 2011
Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction
Andrei V Kazantsev, Panagiotis G Karamertzanis, Claire S Adjiman, 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 test
David A Bardwell, Claire S Adjiman, Yelena A Arnautova, et al.
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Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Topics in Current Chemistry
|
February 7, 2014
General computational algorithms for ab initio crystal structure prediction for organic molecules
Constantinos C Pantelides, Claire S Adjiman, Andrei V Kazantsev
Journal of Chemical Theory and Computation
|
November 18, 2015
Efficient Handling of Molecular Flexibility in Ab Initio Generation of Crystal Structures
Matthew Habgood, Isaac J Sugden, Andrei V Kazantsev, et al.
Acta Crystallographica. Section B, Structural Science
|
November 21, 2012
The polymorphs of ROY: application of a systematic crystal structure prediction technique
Manolis Vasileiadis, Andrei V Kazantsev, Panagiotis G Karamertzanis, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Can the Formation of Pharmaceutical Cocrystals Be Computationally Predicted? 2. Crystal Structure Prediction
Panagiotis G Karamertzanis, Andrei V Kazantsev, Nizar Issa, et al.
International Journal of Pharmaceutics
|
April 19, 2011
Successful prediction of a model pharmaceutical in the fifth blind test of crystal structure prediction
Andrei V Kazantsev, Panagiotis G Karamertzanis, Claire S Adjiman, 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 test
David A Bardwell, Claire S Adjiman, Yelena A Arnautova, et al.
Page
of 1