How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum Chemistry-Reference-Cited by-同舟云学术

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How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum Chemistry

Published:2019-08-14 Issue:9 Volume:59 Page:3735-3743
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Bauer Christoph A.^ORCID

Funder

Bergens Forskningsstiftelse

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.9b00132

Reference99 articles.

1. Definition of the hydrogen bond (IUPAC Recommendations 2011)

2. Hornby, D. FEBS Letters; Springer Berlin Heidelberg: Berlin, Heidelberg, 1993; Vol. 323, p 295.

3. Hydrogen Bonds: Simple after All?

4. Hessler, G. In Angewandte Chemie; Böhm, H., Schneider, G., Eds. Wiley VCH Verlag GmbH & Co. KGaA: Weinheim, 2003; Vol. 116, p 148.

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1. Theoretical models of solubility for organic solvents. A conceptual density functional theory approach;Journal of Molecular Liquids;2024-06

2. Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules;Scientific Reports;2023-03-13

3. A Quantum Mechanics-Based Method to Predict Intramolecular Hydrogen Bond Formation Reflecting P-glycoprotein Recognition;ACS Medicinal Chemistry Letters;2023-01-13

4. Drug discovery: Standing on the shoulders of giants;Managing the Drug Discovery Process;2023

5. Dihydrogen Bonding—Seen through the Eyes of Vibrational Spectroscopy;Molecules;2022-12-28

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