Concepedia

Solvent effects on the intramolecular hydrogen-bond and anti-oxidative properties of apigenin: A DFT approach

Yan-Zhen Zheng, Yu Zhou, Dafu Chen, Rui Guo, Cui-Ling Xiong, Xi-Jian Xu, Zhaonan Zhang, Zhijian Huang

Dyes and Pigments · 2017 · 55 citations · 51 references

DOI

Concepts

References

51

Multiwfn: A multifunctional wavefunction analyzer

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

, , +15

Structure-antioxidant activity relationships of flavonoids and phenolic acids

Catherine Rice‐Evans, Nicholas J. Miller, George Paganga · Free Radical Biology and Medicine · 1996 · 8.9K citations

, , +14

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

Stanislav Miertuš, Eolo Scrocco, J. Tomasi · Chemical Physics · 1981 · 8.9K citations

, , +16

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

, , +16

Atoms in Molecules — a Quantum Theory

W.J. Orville-Thomas · Journal of Molecular Structure THEOCHEM · 1996 · 2.9K citations

, , +12