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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
acids
18%
dimers
63%
electronic structure
7%
estimating
8%
field theory (physics)
10%
formic acid
100%
infrared spectra
9%
low pressure
16%
molecular dynamics
14%
monomers
18%
potential energy
25%
protons
45%
room temperature
5%
simulation
7%
spectroscopy
36%
subtraction
10%
vapor phases
16%
vapors
15%
Chemical Compounds
Acid
7%
Ambient Reaction Temperature
5%
CCSD
10%
Electronic State
7%
Force
6%
Formic Acid
62%
Gas
10%
Molecular Dynamics
14%
Molecular Mechanic
19%
Monomer
11%
Potential Energy Surface
28%
Pressure
17%
Proton Transfer
63%
Simulation
12%
Spectroscopy
45%
Transfer Reaction
9%