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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 for this work
Department of Chemistry
30
Citations (Scopus)
53
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Dive into the research topics of 'Spectroscopy and dynamics of double proton transfer in formic acid dimer'. Together they form a unique fingerprint.
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Physics & Astronomy
formic acid
100%
dimers
63%
protons
45%
spectroscopy
36%
potential energy
25%
monomers
18%
acids
18%
low pressure
16%
vapor phases
16%
vapors
15%
molecular dynamics
14%
subtraction
10%
field theory (physics)
10%
infrared spectra
9%
estimating
8%
simulation
7%
electronic structure
7%
room temperature
5%
Chemical Compounds
Proton Transfer
63%
Formic Acid
62%
Spectroscopy
45%
Potential Energy Surface
28%
Molecular Mechanic
19%
Pressure
17%
Molecular Dynamics
14%
Simulation
12%
Monomer
11%
CCSD
10%
Gas
10%
Transfer Reaction
9%
Electronic State
7%
Acid
7%
Force
6%
Ambient Reaction Temperature
5%