Concepedia

Computational investigation of bioactive 2,3-diaryl quinolines using DFT method: FT- IR, NMR spectra, NBO, NLO, HOMO-LUMO transitions, and quantum-chemical properties

Shashi Janeoo, Reenu Reenu, Amandeep Saroa, Rakesh Kumar, Harminder Kaur

Journal of Molecular Structure · 2021 · 78 citations · 40 references

Concepts

Combinatorial ChemistryMedicinal ChemistryQuantum-chemical PropertiesBioactive 2,3-Diaryl QuinolinesBiochemistryNatural SciencesDft MethodOrganic ChemistryChemistryHeterocycle ChemistryChemical DerivativeSpectra-structure Correlation

References

40

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 · 6.7K citations

Magnetic Resonance, Altmetric Attention Score, Computational Chemistry +17

Recent progress of molecular organic electroluminescent materials and devices

L. S. Hung, C.H Chen · Materials Science and Engineering R Reports · 2002 · 1.1K citations

Organic Charge-transfer Compound, Engineering, Organic Electronics +6

Reduced HOMO−LUMO Gap as an Index of Kinetic Stability for Polycyclic Aromatic Hydrocarbons

Jun‐ichi Aihara · The Journal of Physical Chemistry A · 1999 · 1K citations

Reduced Homo−lumo Gap, Engineering, Organic Chemistry +16

Origin of High Second- and Third-Order Nonlinear Optical Response in Ammonio/Borato Diphenylpolyene Zwitterions: the Remarkable Role of Polarized Aromatic Groups

Victor Geskin, Christoph Lambert, Jean‐Luc Brédas · Journal of the American Chemical Society · 2003 · 529 citations

Optical Materials, Engineering, Nonlinear Optics +20

Quinoline: A versatile heterocyclic

Akranth Marella, Omprakash Tanwar, Rikta Saha et al. · Saudi Pharmaceutical Journal · 2012 · 440 citations · Full text