Water in Crystals: A Database for ML and a Knowledge Base for Vibrational Prediction-Reference-Cited by-同舟云学术

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Water in Crystals: A Database for ML and a Knowledge Base for Vibrational Prediction

Published:2023-07-05 Issue:28 Volume:127 Page:13740-13750
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Kullgren Jolla¹^ORCID,Röckert Andreas¹^ORCID,Hermansson Kersti¹

Affiliation:

1. Department of Chemistry─Ångström, Uppsala University, Box 538, SE-751 21 Uppsala, Sweden

Funder

Vetenskapsr?det

Uppsala Universitet

Lunds Universitet

Ume? Universitet

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c00023

Reference50 articles.

1. Large Molecules

2. On the correlation between deuteron quadrupole coupling constants, O-H and O-D stretching frequencies and hydrogen-bond distances in solid hydrates

3. Resonance-Assisted O-H ⃛ O Hydrogen Bonding: Its Role in the Crystalline Self-Recognition of β-Diketone Enols and its Structural and IR Characterization

4. Correlation of O-H stretching frequencies and O-H…O hydrogen bond lengths in minerals

5. The Hydrogen Bond in the Solid State

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