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Literature DB >> 24166825

Controlling and predicting crystal shapes: the case of urea.

Matteo Salvalaglio¹, Thomas Vetter, Marco Mazzotti, Michele Parrinello.

Abstract

Entities: Chemical

Keywords: additives; crystal habit; crystallization; molecular dynamics; urea

Year: 2013 PMID： 24166825 DOI： 10.1002/anie.201304562

Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN： 1433-7851 Impact factor: 15.336

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Cited

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8 in total

1. Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.

Authors: Gabriele C Sosso; Ji Chen; Stephen J Cox; Martin Fitzner; Philipp Pedevilla; Andrea Zen; Angelos Michaelides
Journal: Chem Rev Date: 2016-05-26 Impact factor: 60.622

2. Molecular-dynamics simulations of urea nucleation from aqueous solution.

Authors: Matteo Salvalaglio; Claudio Perego; Federico Giberti; Marco Mazzotti; Michele Parrinello
Journal: Proc Natl Acad Sci U S A Date: 2014-12-09 Impact factor: 11.205

3. A Digital Mechanistic Workflow for Predicting Solvent-Mediated Crystal Morphology: The α and β Forms of l-Glutamic Acid.

Authors: Thomas D Turner; Neil Dawson; Martin Edwards; Jonathan H Pickering; Robert B Hammond; Robert Docherty; Kevin J Roberts
Journal: Cryst Growth Des Date: 2022-04-11 Impact factor: 4.010

8. Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy.

Authors: Yonaton N Heit; Kaushik D Nanda; Gregory J O Beran
Journal: Chem Sci Date: 2015-09-29 Impact factor: 9.825

8 in total

Controlling and predicting crystal shapes: the case of urea.

1. Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.

2. Molecular-dynamics simulations of urea nucleation from aqueous solution.

3. A Digital Mechanistic Workflow for Predicting Solvent-Mediated Crystal Morphology: The α and β Forms of l-Glutamic Acid.

Review 4. Metadynamics studies of crystal nucleation.

5. Controlling the aqueous growth of urea crystals with different growth inhibitors: a molecular-scale study.

6. Investigating the Role of Solvent in the Formation of Vacancies on Ibuprofen Crystal Facets.

Review 7. Influences of Crystal Anisotropy in Pharmaceutical Process Development.

8. Predicting finite-temperature properties of crystalline carbon dioxide from first principles with quantitative accuracy.