Concepedia

Synthesis, spectroscopic characterization of novel 16α-(3-acetyl phenyl amino)-3β-hydroxy pregn-5-ene-20-one, its molecular structure, NBO analysis, intramolecular interactions studied by DFT and AIM approach

Arun Sethi, Dolly Shukla, Ranvijay Pratap Singh

Journal of Molecular Structure · 2014 · 15 citations · 26 references

DOI

Concepts

References

26

Spectrometric identification of organic compounds

Robert M. Silverstein, G. Clayton Bassler · Journal of Chemical Education · 1962 · 14.3K citations

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Electrophilicity Index

Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations

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Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

Krzysztof Woliński, James F. Hinton, Péter Pulay · Journal of the American Chemical Society · 1990 · 6.8K citations

, , +5

Hydrogen bond strengths revealed by topological analyses of experimentally observed electron densities

Enrique Espinosa, Elı́es Molins, Claude Lecomte · Chemical Physics Letters · 1998 · 3.5K citations

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Behavior of Ylides Containing N, O, and C Atoms as Hydrogen Bond Acceptors

Isabel Rozas, Ibón Alkorta, José Elguero · Journal of the American Chemical Society · 2000 · 1.7K citations

, , +16