Pseudocyclic Form of 4-Hydroxypyrrolidine-2-carboxanilide Podands with Trioxyethylene Chain: Modeling, Conformational Search, and NMR Analysis-Reference-Cited by-同舟云学术

Pseudocyclic Form of 4-Hydroxypyrrolidine-2-carboxanilide Podands with Trioxyethylene Chain: Modeling, Conformational Search, and NMR Analysis

Published:2021-07-07 Issue:28 Volume:125 Page:6029-6041
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Borodina Olga¹,Ovchinnikova Irina²,Makarov Gennady¹,Yeltsov Oleg³,Titova Yulia²³,Fedorova Olga²,Masunov Artëm E.¹⁴⁵^ORCID,Bartashevich Ekaterina¹

Affiliation:

1. South Ural State University,76 Lenina Avenue, Chelyabinsk 454080, Russia

2. Postovsky Institute of Organic Synthesis, Ural Branch of the Russian Academy of Sciences, 22 S. Kovalevskoy/20 Akademicheskaya Street, Yekaterinburg 620108, Russia

3. Ural Federal University named after the first President of Russia B. N. Yeltsin, Mira Street, 19, Yekaterinburg, 620002, Russia

4. NanoScience Technology Center, University of Central Florida, 12424 Research Parkway, Orlando, Florida 32826, United States

5. School of Modeling, Simulation, and Training, University of Central Florida, 3100 Technology Parkway, Orlando, Florida 32816, United States

Funder

Ministry of Science and Higher Education of the Russian Federation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c02613

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4. Optimizing structure determination from powders of crystalline organic solids with high molecular flexibility: the case of lisinopril dihydrate

5. A combined first principles computational and solid-state NMR study of a molecular crystal: flurbiprofen

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