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Kinetic Energy Density as a Predictor of Hydrogen-Bonded OH-Stretching Frequencies
Joseph R. Lane, Anne Schou Hansen, Kasper Mackeprang,
Henrik Grum Kjærgaard
Kemisk Institut
20
Citationer (Scopus)
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Keyphrases
Kinetic Energy Density
100%
OH Stretching Frequencies
100%
Hydrogen Bonds (H-bonds)
100%
Intermolecular Hydrogen Bond
66%
OH Stretching
66%
Pyridine
66%
Donor Groups
33%
Interaction Theory
33%
Strong Hydrogen Bond
33%
Room Temperature
33%
Noncovalent Interactions
33%
Weak Hydrogen Bonds
33%
Gas Phase
33%
2,2,2-Trifluoroethanol
33%
Reduced Density Gradient
33%
Vibrational Spectra
33%
Ethanol
33%
Methanol
33%
Chemistry
Hydrogen
100%
Hydrogen Bonding
100%
Kinetic Energy
100%
Red
42%
Vibrational Spectra
14%
Methanol
14%
Non-Covalent Interactions
14%
Donor
14%
Ambient Reaction Temperature
14%