Concepedia

Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV–vis. and NMR), HOMO-LUMO and NBO investigations on N-(12-amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide

Can Alaşalvar, Nuri Öztürk, Alaa A.‐M. Abdel‐Aziz, Halil Gökçe, Adel S. El‐Azab, Manal A. El-Gendy, Yusuf Sert

Journal of Molecular Structure · 2018 · 52 citations · 42 references

Concepts

BiochemistryNatural SciencesSpectroscopyStructure ElucidationSpectra-structure CorrelationOrganic ChemistryChemistryMolecular ChemistryHirshfeld Surface AnalysisMolecular SpectroscopySpectroscopic MethodNbo Investigations

References

42

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 101.1K citations

Electron Density, Chemical Thermodynamics, Engineering +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 98.6K citations

Electron Density, Gradient Expansions, Engineering +14

van der Waals Volumes and Radii

A. Bondì · The Journal of Physical Chemistry · 1964 · 19K citations

Altmetrics, Physics, Donut Icon +10

Density-Functional Theory for Time-Dependent Systems

Erich Runge, E. K. U. Gross · Physical Review Letters · 1984 · 8.5K citations

Quantum Dynamic, Electron Density, Deterministic Dynamical System +12

Absolute hardness: companion parameter to absolute electronegativity

Robert G. Parr, Ralph G. Pearson · Journal of the American Chemical Society · 1983 · 7.6K citations

Engineering, Altmetric Attention Score, Bibliometrics +16