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Spectroscopy and dynamics of double proton transfer in formic acid dimer
Kasper Mackeprang, Zhen-Hao Xu, Zeina Maroun, Markus Meuwly
*
,
Henrik Grum Kjærgaard
*
Corresponding author af dette arbejde
Kemisk Institut
30
Citationer (Scopus)
53
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Alfabetisk
Chemistry
Proton Transfer
100%
Formic Acid
100%
Spectroscopy
100%
dimer
100%
Potential Energy Surface
37%
Monomer
25%
Molecular Dynamics
25%
Molecular Mechanic
25%
Transfer Reaction
12%
Møller-Plesset Perturbation Theory
12%
Electronic State
12%
Infrared Radiation
12%
CCSD
12%
DFT-B3LYP Calculation
12%
Ambient Reaction Temperature
12%
Energetics
12%
Keyphrases
Double Proton Transfer
100%
Carboxylic Acid Dimers
100%
Formic Acid Vapor
50%
OH Stretching Region
50%
Transferred Potential
25%
Step Potential
25%
Monomer Acid
25%
Minimum Potential Energy
25%
Reactive Molecular Dynamics
25%
Chemical Engineering
Formic Acid
100%
Dimer
100%
Molecular Mechanics
25%