Concepedia

Theoretical study on the effects of substituents and solvent polarity on the ESIPT properties and electronic spectra of 2-((E)-(naphthalene-3-ylimino)-methyl) phenol derivatives

Peipei Wei, Kunyu Su, Yundong Xie, Wenhui Bao, Min Ma, Xingzhu Tang, Jiangbo Xin, Chaofan Sun

Chemical Physics Letters · 2024 · 10 citations · 33 references

DOI

Concepts

References

33

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 · 100.1K citations

, , +17

VMD: Visual molecular dynamics

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

, , +12

Density-functional exchange-energy approximation with correct asymptotic behavior

Axel D. Becke · Physical review. A, General physics · 1988 · 53.5K citations

, , +17

Multiwfn: A multifunctional wavefunction analyzer

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

, , +15

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Éric Cancès, Benedetta Mennucci, J. Tomasi · The Journal of Chemical Physics · 1997 · 6.8K citations

, , +17