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Analysis of nuclear quantum effects on hydrogen bonding
Chet Swalina
, Wang Qian
, Arindam Chakraborty
,
Sharon Hammes-Schiffer
Research output
:
Contribution to journal
›
Article
›
peer-review
39
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Scopus citations
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Keyphrases
Hydrogen Fluoride
100%
Nuclear Quantum Effects
100%
Hydrogen Bond (H-bond)
100%
Electrostatic Interaction
33%
Fluoride Anion
33%
Quantum Delocalization
33%
Change of Direction
33%
Electron Density
16%
Deuterium
16%
Equilibrium Geometry
16%
Water Molecule
16%
Hydrogen Peroxide
16%
Car-Parrinello Molecular Dynamics
16%
Solvate
16%
Hydrogen Bonding Interaction
16%
Condensed Phase
16%
Deuteration
16%
Small Degree
16%
Path Integral Formalism
16%
Zero-point Energy
16%
VPT2
16%
Shielding Constant
16%
Nuclear Magnetic Shielding
16%
Hydrogen Bonding Strength
16%
Energy Effect
16%
Second-order Vibrational Perturbation Theory
16%
Chemistry
Hydrogen Bonding
100%
Hydrogen Fluoride
100%
Electrostatic Interaction
33%
Electric Shielding Constant
33%
Fluoride
33%
k·p perturbation theory
16%
Molecular Dynamics
16%
Monomer
16%
Path Integral
16%
Fluorine
16%
Condensed Phase
16%
Zero Point Energy
16%
Mechanical Strength
16%
electronics
16%
Perturbation Theory
16%
Deuterium
16%
Hydrogen
16%