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List of works by Paula Homem-de-Mello

A quantum chemical investigation of the solvatochromism of a phthalocyanine within a lipid bilayer: Comparison between continuum and atomistic models

Anharmonic transitions in nearly dry L-cysteine I.

scientific article published on 13 April 2012

Can one use the electronic absorption spectra of metalloporphyrins to benchmark electronic structure methods? A case study on the cobalt porphyrin

scientific article published on 19 October 2020

Cationic dye dimers: a theoretical study

Contrasting photophysical properties of rhenium(i) tricarbonyl complexes having carbazole groups attached to the polypyridine ligand.

scientific article published on 18 May 2016

Copper(II) complexation to 1-octarepeat peptide from a prion protein: Insights from theoretical and experimental UV-visible studies ⬇️

scientific article published on April 27, 2012

Cytotoxicity of phenothiazine derivatives associated with mitochondrial dysfunction: A structure-activity investigation

scientific article published on 14 February 2015

DFT and electrochemical studies on nortriptyline oxidation sites

scientific article published on 27 January 2009

Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems

scientific article published on 21 May 2018

Diclofenac on Boron-Doped Diamond Electrode: From Electroanalytical Determination to Prediction of the Electrooxidation Mechanism with HPLC-ESI/HRMS and Computational Simulations

scientific article published on 08 May 2014

Evaluation of degradation mechanism of chlorhexidine by means of Density Functional Theory calculations

scientific article published on 3 October 2017

Interaction of Phenothiazine Compounds with Zwitterionic Lysophosphatidylcholine Micelles: Small Angle X-ray Scattering, Electronic Absorption Spectroscopy, and Theoretical Calculations

scientific article published on 01 July 2006

Light-induced oxidation of unsaturated lipids as sensitized by flavins

scientific article

Mechanistic model for the firefly luciferin regeneration in biomimetic conditions: a model for the in vivo process?

scientific article published on 5 April 2017

Morphological dependence of silver electrodeposits investigated by changing the ionic liquid solvent and the deposition parameters

scientific article published on 01 March 2016

Quantum-chemistry descriptors for photosensitizers based on macrocycles

scientific article published on February 2017

Reactivity of beer bitter acids toward the 1-hydroxyethyl radical as probed by spin-trapping electron paramagnetic resonance (EPR) and electrospray ionization-tandem mass spectrometry (ESI-MS/MS).

scientific article

Riboflavin-photosensitized oxidation is enhanced by conjugation in unsaturated lipids.

scientific article

Role of physicochemical properties in the activation of peroxisome proliferator-activated receptor δ.

scientific article

The effects of solvation in the theoretical spectra of cationic dyes

article published in 2005

The interaction of an azo compound with a surfactant and ion pair adsorption to solid phases

scientific article published on 21 October 2011

Theoretical study on the molecular and electronic properties of some substances used for diabetes mellitus treatment.

scientific article

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