H-bond and electric field correlations for water in highly hydrated crystals-Reference-Cited by-同舟云学术

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H-bond and electric field correlations for water in highly hydrated crystals

Published:2015-12-11 Issue:2 Volume:116 Page:67-80
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int. J. Quantum Chem.

Author:

Sen Anik¹,Mitev Pavlin D.¹,Eriksson Anders¹,Hermansson Kersti¹

Affiliation:

1. Department of Chemistry, The Ångström Laboratory; Uppsala University; Box 538 Uppsala S-751 21 Sweden

Funder

Swedish Research Council (VR)

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference78 articles.

1. THE CRYSTAL STRUCTURES OF AMMONIUM, POTASSIUM AND RUBIDIUM CUPRIC CHLORIDE DIHYDRATES

2. On hydrogen bonds in crystalline hydrates

3. Die Berechnung optischer und elektrostatischer Gitterpotentiale

4. Hydrogen bond studies 70. ab initio calculations of some properties of water molecules in the free state and in solid hydrates

5. Hydrogen bond studies. XCVI. X–N maps and ab initio MO–LCAO–SCF calculations of the difference electron density in noncentrosymmetric lithium formate monohydrate, LiHCOO.H2O

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1. Water in Crystals: A Database for ML and a Knowledge Base for Vibrational Prediction;The Journal of Physical Chemistry C;2023-07-05

2. Predicting Frequency from the External Chemical Environment: OH Vibrations on Hydrated and Hydroxylated Surfaces;Journal of Chemical Theory and Computation;2022-12-02

3. Spectroscopic Identification of Hydrogen Bond Vibrations and Quasi-Isostructural Polymorphism in N-Salicylideneaniline;Molecules;2021-08-20

4. Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate;Molecules;2020-05-21

5. Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis;Journal of Molecular Liquids;2019-11

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