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Constantinos C Pantelides

Showing results (1-10 of 16) with videos related to

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Journal of Computational Chemistry|December 29, 2004
Ab initio crystal structure prediction-I. Rigid moleculesPanagiotis G Karamertzanis, Constantinos C Pantelides
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|December 3, 2016
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. I. Adaptive local approximate modelsIsaac Sugden, Claire S Adjiman, Constantinos C Pantelides
Faraday Discussions|August 11, 2018
Repulsion-dispersion parameters for the modelling of organic molecular crystals containing N, O, S and ClChristina A Gatsiou, Claire S Adjiman, Constantinos C Pantelides
Topics in Current Chemistry|February 7, 2014
General computational algorithms for ab initio crystal structure prediction for organic moleculesConstantinos C Pantelides, Claire S Adjiman, Andrei V Kazantsev
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 25, 2020
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. II. Smoothed intramolecular potentialsIsaac J Sugden, Claire S Adjiman, Constantinos C Pantelides
Annual Review of Chemical and Biomolecular Engineering|March 26, 2021
Crystal Structure Prediction Methods for Organic Molecules: State of the ArtDavid H Bowskill, Isaac J Sugden, Stefanos Konstantinopoulos, et al.
Acta Crystallographica. Section B, Structural Science|November 21, 2012
The polymorphs of ROY: application of a systematic crystal structure prediction techniqueManolis Vasileiadis, Andrei V Kazantsev, Panagiotis G Karamertzanis, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Efficient Handling of Molecular Flexibility in Ab Initio Generation of Crystal StructuresMatthew Habgood, Isaac J Sugden, Andrei V Kazantsev, et al.
Crystal Growth & Design|August 2, 2022
Efficient Screening of Coformers for Active Pharmaceutical Ingredient CocrystallizationIsaac J Sugden, Doris E Braun, David H Bowskill, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|January 28, 2025
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groupsIsaac J Sugden, David H Bowskill, Benjamin I Tan, et al.
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
Journal of Computational Chemistry|December 29, 2004
Ab initio crystal structure prediction-I. Rigid moleculesPanagiotis G Karamertzanis, Constantinos C Pantelides
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|December 3, 2016
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. I. Adaptive local approximate modelsIsaac Sugden, Claire S Adjiman, Constantinos C Pantelides
Faraday Discussions|August 11, 2018
Repulsion-dispersion parameters for the modelling of organic molecular crystals containing N, O, S and ClChristina A Gatsiou, Claire S Adjiman, Constantinos C Pantelides
Topics in Current Chemistry|February 7, 2014
General computational algorithms for ab initio crystal structure prediction for organic moleculesConstantinos C Pantelides, Claire S Adjiman, Andrei V Kazantsev
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 25, 2020
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. II. Smoothed intramolecular potentialsIsaac J Sugden, Claire S Adjiman, Constantinos C Pantelides
Annual Review of Chemical and Biomolecular Engineering|March 26, 2021
Crystal Structure Prediction Methods for Organic Molecules: State of the ArtDavid H Bowskill, Isaac J Sugden, Stefanos Konstantinopoulos, et al.
Acta Crystallographica. Section B, Structural Science|November 21, 2012
The polymorphs of ROY: application of a systematic crystal structure prediction techniqueManolis Vasileiadis, Andrei V Kazantsev, Panagiotis G Karamertzanis, et al.
Journal of Chemical Theory and Computation|November 18, 2015
Efficient Handling of Molecular Flexibility in Ab Initio Generation of Crystal StructuresMatthew Habgood, Isaac J Sugden, Andrei V Kazantsev, et al.
Crystal Growth & Design|August 2, 2022
Efficient Screening of Coformers for Active Pharmaceutical Ingredient CocrystallizationIsaac J Sugden, Doris E Braun, David H Bowskill, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|January 28, 2025
Accurate and efficient representation of intramolecular energy in ab initio generation of crystal structures. Part III: partitioning into torsional groupsIsaac J Sugden, David H Bowskill, Benjamin I Tan, et al.
Pageof 2