Anharmonic Stretching Frequencies of Local OH Bonds in Water Dimer: Ab Initio Potential Energy and Discrete Variable Representation
Author:
Affiliation:
1. Department of ChemistryChungbuk National University Cheongju 28644 South Korea
Funder
Ministry of Education
Publisher
Wiley
Subject
General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/bkcs.11645
Reference26 articles.
1. Hydrogen bonding: How much anharmonicity?
2. The Role of Anharmonicity in Hydrogen-Bonded Systems: The Case of Water Clusters
3. Dimension of discrete variable representation for mixed quantum/classical computation of three lowest vibrational states of OH stretching in liquid water
4. IR and Raman spectra of liquid water: Theory and interpretation
5. The water dimer I: Experimental characterization
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1. Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials;The Journal of Physical Chemistry C;2023-08-07
2. Assessing Density Functional Theories to Compute the OH Stretching Frequencies of Water Molecules in Condensed Phases;J KOREAN CHEM SOC;2023
3. A strategy to compute quantum chemical potential energies of inhomogeneous OH bonds in water molecules;Bulletin of the Korean Chemical Society;2021-12-15
4. Local and Normal Modes of OH Stretching Vibration in Hydrogen-Bonded Water Molecules;J KOREAN CHEM SOC;2020
5. Extrapolation functions for calculating stretching frequencies of local OH bonds of water molecules;Computational and Theoretical Chemistry;2019-02
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