Concepedia

Understanding the behavior of caffeine on a boron-doped diamond surface: voltammetric, DFT, QTAIM and ELF studies

Ámison Rick Lopes da Silva, Danyelle Medeiros de Araújo, Evanimek B. Sabino da Silva, Davi Serradella Vieira, Norberto de Kássio Vieira Monteiro, Carlos A. Martínez‐Huitle

New Journal of Chemistry · 2017 · 20 citations · 29 references

DOI

Concepts

Abstract

A cyclic and differential pulse voltammetry analysis by using a boron doped diamond electrode to understand the behavior of caffeine on its surface was carried out.

References

29

Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 61.8K citations · Full text

, , +16

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 39.7K citations

, , +17

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 29.9K citations

, , +14

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

Marcus D. Hanwell, Donald Curtis, David Lonie et al. · Journal of Cheminformatics · 2012 · 9.9K citations · Full text

A simple measure of electron localization in atomic and molecular systems

Axel D. Becke, Kenneth E. Edgecombe · The Journal of Chemical Physics · 1990 · 6.8K citations