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List of works by A. J. Palace Carvalho

A DFT study on the adsorption of benzodiazepines to vermiculite surfaces

scientific article published on 01 July 2014

Behavior of fluorescent cholesterol analogues dehydroergosterol and cholestatrienol in lipid bilayers: a molecular dynamics study

scientific article published on 06 May 2013

Benzo[c]thiophene Chromophores Linked to Cationic Fe and Ru Derivatives for NLO Materials: Synthesis Characterization and Quadratic Hyperpolarizabilities

Diphenylhexatriene membrane probes DPH and TMA-DPH: A comparative molecular dynamics simulation study.

scientific article published on 27 July 2016

Effect of amphipathic HIV fusion inhibitor peptides on POPC and POPC/cholesterol membrane properties: a molecular simulation study.

scientific article published on 15 July 2013

Excess thermodynamic properties of mixtures involving xenon and light alkanes: a study of their temperature dependence by computer simulation.

scientific article published on 27 July 2011

Excess thermodynamics of mixtures involving xenon and light linear alkanes by computer simulation

scientific article published on 22 May 2007

Mechanisms of removal of three widespread pharmaceuticals by two clay materials

scientific article published on 01 June 2016

Molecular dynamics simulations of T-20 HIV fusion inhibitor interacting with model membranes

scientific article published on 06 August 2011

Mono(η5-cyclopentadienyl)metal(II) Complexes with Thienyl Acetylide Chromophores: Synthesis, Electrochemical Studies, and First Hyperpolarizabilities

Parallel implementation of a Monte Carlo molecular stimulation program

scientific article

Remarkable shifts of Csp2 -H and O-H stretching frequencies and stability of complexes of formic acid with formaldehydes and thioformaldehydes

scientific article published on 04 February 2019

Switchable Nonlinear Optical Properties of η5-Monocyclopentadienylmetal Complexes: A DFT Approach ⬇️

scientific article published on August 16, 2012

Toxicity and removal efficiency of pharmaceutical metabolite clofibric acid by Typha spp.--potential use for phytoremediation?

scientific article published on 2 October 2008

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