Concepedia

Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, reduced density gradient and nonlinear optical investigation on (E)-N'-(4-nitrobenzylidene)-2-(quinolin-8-yloxy) acetohydrazide monohydrate: A combined experimental and DFT approach

Oumeria Kourat, Ahmed Djafri, Nadia Benhalima, Youcef Megrouss, Nour El Houda Belkafouf, Rachida Rahmani, Jean‐Claude Daran, Ayada Djafri, Abdelkader Chouaıh

Journal of Molecular Structure · 2020 · 43 citations · 70 references

Concepts

Natural SciencesChemistryPhysicsOrganic ChemistryPhysical ChemistrySpectroscopyCrystal ChemistryNonlinear Optical MaterialsNonlinear OpticsOptical Properties Of SolidsOptical SpectroscopyMolecular Nonlinear OpticsNonlinear Optical CrystalsNonlinear Optical ResponseNonlinear Optical SpectroscopyOrganic Nonlinear Optical MaterialsSpectral CharacterizationSpectral Response Characterization

References

70

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

Natural Sciences, Chemistry, Physics +16

A short history of<i>SHELX</i>

George M. Sheldrick · Acta Crystallographica Section A Foundations of Crystallography · 2007 · 87.4K citations · Full text

Natural Sciences, Biophysics, Chemistry +16

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

Natural Sciences, Biophysics, Physics +12

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

Natural Sciences, Chemistry, Visualization +15

Crystal structure refinement with<i>SHELXL</i>

George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry · 2014 · 42.5K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16