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Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy
Nicolai Christian Bork, Lin Du, Heidi Reiman, Theo Kurtén,
Henrik Grum Kjærgaard
Department of Chemistry
46
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Dive into the research topics of 'Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy'. Together they form a unique fingerprint.
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Engineering & Materials Science
Binding energy
100%
Electronic structure
93%
Spectroscopy
70%
Benchmarking
65%
Hydrogen
50%
Atmospheric aerosols
39%
Acetonitrile
34%
Stretching
22%
Uncertainty
13%
Gases
11%
Physics & Astronomy
molecular clusters
82%
binding energy
53%
electronic structure
47%
hydrogen
38%
spectroscopy
32%
acetonitrile
26%
predictions
22%
aerosols
21%
functionals
19%
vibration mode
19%
perturbation theory
17%
vapor phases
16%
scaling
14%
Chemical Compounds
Binding Energy
55%
Electronic State
46%
Molecular Cluster
41%
Fourier Transform Infrared Spectroscopy
35%
Atmospheric Aerosol
30%
Perturbation Theory
24%
Gas
11%