XO-PBC: An Accurate and Efficient Method for Molecular Crystals-Reference-Cited by-同舟云学术

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XO-PBC: An Accurate and Efficient Method for Molecular Crystals

Published:2020-05-26 Issue:7 Volume:16 Page:4271-4285
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Chen Bozhu¹,Xu Xin¹^ORCID

Affiliation:

1. Collaborative Innovation Center of Chemistry for Energy Materials, Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Ministry of Education Key Laboratory of Computational Physical Sciences, Department of Chemistry, Fudan University, Shanghai, 200433, China

Funder

Ministry of Science and Technology of the People's Republic of China

Ministry of Industry and Information Technology of the People's Republic of China

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00232

Reference117 articles.

1. Reliable and practical computational description of molecular crystal polymorphs

2. Dealing with the Impact of Ritonavir Polymorphs on the Late Stages of Bulk Drug Process Development

3. Report on the sixth blind test of organic crystal structure prediction methods

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1. Toward Efficient and Unified Treatment of Static and Dynamic Correlations in Generalized Kohn–Sham Density Functional Theory;JACS Au;2024-08-12

2. Multimer Embedding Approach for Molecular Crystals up to Harmonic Vibrational Properties;Journal of Chemical Theory and Computation;2023-12-18

3. Accurate descriptions of molecule-surface interactions for understanding CO2 capture by MgO-based sorbents in wet conditions;Carbon Capture Science & Technology;2023-12

4. Cluster-in-Molecule Local Correlation Method for Dispersion Interactions in Large Systems and Periodic Systems;Accounts of Chemical Research;2023-11-22

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