Evaluation of Shear-Slip Transitions in Crystalline Aspirin by Density-Functional Theory-Reference-Cited by-同舟云学术

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Evaluation of Shear-Slip Transitions in Crystalline Aspirin by Density-Functional Theory

Published:2016-10-27 Issue:12 Volume:16 Page:6867-6873
ISSN:1528-7483
Container-title:Crystal Growth & Design
language:en
Short-container-title:Crystal Growth & Design

Author:

LeBlanc Luc M.¹,Otero-de-la-Roza Alberto²,Johnson Erin R.¹

Affiliation:

1. Department of Chemistry, Dalhousie University, 6274 Coburg Road, P.O. Box 15000 Halifax, Nova Scotia, Canada B3H 4R2

2. Department of Chemistry, University of British Columbia, Okanagan, 3247 University Way, Kelowna, British Columbia, Canada V1V 1V7

Funder

Natural Sciences and Engineering Research Council of Canada

Walter C. Sumner Foundation

Publisher

American Chemical Society (ACS)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.cgd.6b01038

Reference47 articles.

1. 1163. The crystal and molecular structure of aspirin

2. Toward Crystal Structure Prediction for Conformationally Flexible Molecules: The Headaches Illustrated by Aspirin

3. The Predictably Elusive Form II of Aspirin

4. On the Polymorphism of Aspirin

5. On the Polymorphism of Aspirin: Crystalline Aspirin as Intergrowths of Two “Polymorphic” Domains

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1. Revisiting Aspirin Polymorphic Stability Using a Machine Learning Potential;ACS Omega;2024-08-19

2. Identifying Possible Slip Systems of Molecular Crystals via a Geometry-Based Procedure;Crystal Growth & Design;2024-05-15

3. Are Elastic Properties of Molecular Crystals within Reach of Density Functional Theory? Accuracy, Robustness, and Reproducibility of Current Approaches;Crystal Growth & Design;2024-04-15

4. Elastic Anisotropy of Molecular Crystals Calculated by an Elastic Model Established on a Supramolecular Structural Unit;Crystal Growth & Design;2024-01-26

5. Review of Applications of Density Functional Theory (DFT) Quantum Mechanical Calculations to Study the High-Pressure Polymorphs of Organic Crystalline Materials;International Journal of Molecular Sciences;2023-09-15

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