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

Electrochemical study of carboxylic acids with Nb-supported boron doped diamond anode. Part 2: Electrochemical oxidation associated to DFT calculations

(2017) Amison Rick Lopes da Silva et al.   JOURNAL OF ELECTROANALYTICAL CHEMISTRY

Role of sp3/sp2 ratio on the electrocatalytic properties of boron-doped diamond electrodes: A mini review

(2015) Sergi Garcia-Segura et al.   ELECTROCHEMISTRY COMMUNICATIONS

Towards Understanding the Decomposition/Isomerism Channels of Stratospheric Bromine Species: Ab Initio and Quantum Topology Study

(2015) Saadullah Aziz et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Density functional theory: Its origins, rise to prominence, and future

(2015) R. O. Jones   REVIEWS OF MODERN PHYSICS

Correlating experimental electrochemistry and theoretical calculations in 2′-hydroxy chalcones: the role of the intramolecular hydrogen bond

(2015) Maximiliano Martínez-Cifuentes et al.   RSC Advances

Hydrogen–Hydrogen Bonds in Highly Branched Alkanes and in Alkane Complexes: A DFT, ab initio, QTAIM, and ELF Study

(2014) Norberto K. V. Monteiro et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of the Energetic Stability and Geometry of Terminated and B-Doped Diamond (111) Surfaces

(2014) Shuainan Zhao et al.   Journal of Physical Chemistry C

A new C–C bond formation model based on the quantum chemical topology of electron density

(2014) Luis R. Domingo   RSC Advances

Degradation of caffeine by conductive diamond electrochemical oxidation

(2013) Chloe Indermuhle et al.   CHEMOSPHERE

A modified single-walled carbon nanotubes/carbon-ceramic electrode for simultaneous voltammetric determination of paracetamol and caffeine

(2013) Biuck Habibi et al.   Journal of the Iranian Chemical Society

Voltammetric determination of caffeine in beverage samples on bare boron-doped diamond electrode

(2012) L’ubomír Švorc et al.   FOOD CHEMISTRY

Why the Standard B3LYP/6-31G* Model Chemistry Should Not Be Used in DFT Calculations of Molecular Thermochemistry: Understanding and Correcting the Problem

(2012) Holger Kruse et al.   JOURNAL OF ORGANIC CHEMISTRY

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

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Fabrication and application of Nafion®-modified boron-doped diamond electrode as sensor for detecting caffeine

(2010) C.A. Martínez-Huitle et al.   DIAMOND AND RELATED MATERIALS

Bond Paths Show Preferable Interactions: Ab Initio and QTAIM Studies on the X−H···π Hydrogen Bond

(2010) Sławomir J. Grabowski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Risk-Benefit Assessment of Paracetamol (Acetaminophen) Combined with Caffeine

(2010) Hazel Palmer et al.   PAIN MEDICINE

Crystallography Open Database – an open-access collection of crystal structures

(2009) Saulius Gražulis et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

The electron transfer behavior of the hydrogen-terminated boron-doped diamond film electrode

(2009) Wang Jiadao et al.   MATERIALS CHEMISTRY AND PHYSICS

Small heterocyclics as hydrogen bond acceptors and donors: the case of the C2H3XS···NH3 complexes (X = H, F and CH3)

(2009) Boaz G. Oliveira et al.   STRUCTURAL CHEMISTRY

Simultaneous Determination of Paracetamol, Caffeine, Guaifenesin and Preservatives in Syrups by Micellar LC

(2008) Artem U. Kulikov et al.   CHROMATOGRAPHIA

Simultaneous voltammetric determination of paracetamol and caffeine in pharmaceutical formulations using a boron-doped diamond electrode

(2008) Bruna Cláudia Lourenção et al.   TALANTA