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Molecular modeling and experimental studies on structure and NMR parameters of 9-benzyl-3,6-diiodo-9
H
-carbazole
Klaudia Radula-Janik, Teobald Kupka, Krzysztof Ejsmont, Zdzisław Daszkiewicz,
Stephan P. A. Sauer
Department of Chemistry
10
Citations (Scopus)
940
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H
-carbazole'. Together they form a unique fingerprint.
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Keyphrases
Benzyl
100%
Nuclear Magnetic Resonance
100%
Resonance Parameters
100%
Molecular Modeling
100%
Chemical Shift
50%
Benzene Ring
50%
Magnetic Resonance Techniques
50%
Harmonic Oscillator Model of Aromaticity
50%
Zeroth-order
50%
Chemical Shift Index
50%
Nucleus-independent Chemical Shift
50%
Room Temperature
50%
Regular Approximation
50%
X-ray
50%
Carbazole
50%
Structure Optimization
50%
Aromaticity
50%
Density Functional Calculations
50%
Non-relativistic
50%
Linear Correlation
50%
Relativistic Calculations
50%
13C nuclear Magnetic Resonance
50%
Pyrrole Ring
50%
Nuclear Magnetic Shielding
50%
Chemistry
9H-Carbazole
100%
Relativistic Calculation
33%
Iodine Atom
33%
Material Science
Nuclear Magnetic Resonance
100%
Density
33%
Physics
Magnetic Shielding
33%