Quadrupolar 14N NMR Relaxation from Force-Field and Ab Initio Molecular Dynamics in Different Solvents-Reference-Cited by-同舟云学术

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Quadrupolar 14N NMR Relaxation from Force-Field and Ab Initio Molecular Dynamics in Different Solvents

Published:2018-11-21 Issue:1 Volume:15 Page:509-519
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Philips Adam¹^ORCID,Marchenko Alex¹^ORCID,Ducati Lucas C.²^ORCID,Autschbach Jochen¹^ORCID

Affiliation:

1. Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000, United States

2. Department of Fundamental Chemistry Institute of Chemistry, University of São Paulo, Av. Prof. Lineu Prestes 748, São Paulo, SP 05508-000, Brazil

Funder

National Science Foundation

Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00807

Reference56 articles.

1. Rotation of Molecules and Nuclear Spin Relaxation

2. Interplay of Structure and Dynamics in Functional Macromolecular and Supramolecular Systems As Revealed by Magnetic Resonance Spectroscopy

3. Oxygen-17 relaxation in water

4. Deuteron spin lattice relaxation in benzene, bromobenzene, water and ammonia

5. Magnetic Relaxation by Quadrupolar Interaction of Ionic Nuclei in Non-Aqueous Electrolyte Solutions. Part I. Limiting Values for Infinite Dilution

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4. Quadrupolar 23Na+ NMR relaxation as a probe of subpicosecond collective dynamics in aqueous electrolyte solutions;Nature Communications;2023-01-05

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