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Pople style basis sets for the calculation of NMR spin-spin coupling constants: the 6-31G-J and 6-311G-J basis sets
Hanna Kjær,
Stephan P. A. Sauer
Department of Chemistry
32
Citations (Scopus)
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Dive into the research topics of 'Pople style basis sets for the calculation of NMR spin-spin coupling constants: the 6-31G-J and 6-311G-J basis sets'. Together they form a unique fingerprint.
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Physics & Astronomy
approximation
12%
density functional theory
18%
deviation
34%
electric contacts
21%
nuclear magnetic resonance
58%
nuclear spin
25%
polarization
26%
propagation
14%
spin-spin coupling
100%
wave functions
19%
Chemical Compounds
Density Functional Theory
22%
Modification
20%
Nuclear Spin-Spin Coupling
60%
Polarization
55%
Spin-Spin Coupling Constant
97%
Time
13%
Wave Function
43%
Engineering & Materials Science
Density functional theory
27%
Nuclear magnetic resonance
88%
Polarization
33%
Set theory
47%
Wave functions
25%