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SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons
Rasmus Faber,
Stephan P. A. Sauer
Department of Chemistry
10
Citations (Scopus)
7
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Dive into the research topics of 'SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons'. Together they form a unique fingerprint.
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Keyphrases
Indirect Spin-spin Coupling Constants
100%
Coupled Cluster
100%
Polarization Propagator
100%
Vibrational Corrections
100%
Small Hydrocarbons
100%
Zero Point
60%
Ethyne
40%
Approximation Results
20%
Density Functional Theory
20%
Ethene
20%
Coupling Constant
20%
Equilibrium Geometry
20%
Indirect nuclear Spin-spin Coupling Constants
20%
CFOUR
20%
B3LYP Functional
20%
B3LYP
20%
Allenes
20%
Cyclopropenes
20%
Aug-cc-pVTZ-J
20%
Carbon-carbon Bond Formation
20%
Chemistry
NMR Spectroscopy
100%
Coupled Cluster Singles and Doubles Theory
100%
Spin-Spin Coupling Constant
100%
Hydrogen
66%
DFT-B3LYP Calculation
66%
Allene
33%
Ethylene
33%
Nuclear Spin-Spin Coupling
33%
Density Functional Theory
33%
Cyclopropene
33%