SANS Spectra with PLUMED: Implementation and Application to Metainference
Cezar, Henrique M., Cascella, Michele
Published in Journal of chemical information and modeling (28.08.2023)
Published in Journal of chemical information and modeling (28.08.2023)
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Journal Article
Quantum Definition of Molecular Structure
Lang, Lucas, Cezar, Henrique M., Adamowicz, Ludwik, Pedersen, Thomas B.
Published in Journal of the American Chemical Society (24.01.2024)
Published in Journal of the American Chemical Society (24.01.2024)
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Journal Article
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
Cardenuto, Marcelo Hidalgo, Cezar, Henrique M., Mikkelsen, Kurt V., Sauer, Stephan P.A., Coutinho, Kaline, Canuto, Sylvio
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.04.2021)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.04.2021)
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Journal Article
Parallel tempering Monte Carlo combined with clustering Euclidean metric analysis to study the thermodynamic stability of Lennard-Jones nanoclusters
Cezar, Henrique M, Rondina, Gustavo G, Da Silva, Juarez L F
Published in The Journal of chemical physics (14.02.2017)
Published in The Journal of chemical physics (14.02.2017)
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Journal Article
A basin-hopping Monte Carlo investigation of the structural and energetic properties of 55- and 561-atom bimetallic nanoclusters: the examples of the ZrCu, ZrAl, and CuAl systems
De Souza, Douglas G, Cezar, Henrique M, Rondina, Gustavo G, de Oliveira, Marcelo F, Da Silva, Juarez L F
Published in Journal of physics. Condensed matter (05.05.2016)
Published in Journal of physics. Condensed matter (05.05.2016)
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Journal Article
Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities
Cezar, Henrique M., Canuto, Sylvio, Coutinho, Kaline
Published in Journal of molecular liquids (01.06.2020)
Published in Journal of molecular liquids (01.06.2020)
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Journal Article
Revisiting greenhouse gases adsorption in carbon nanostructures: Advances through a combined first-principles and molecular simulation approach
Cezar, Henrique M., Lanna, Teresa D., Damasceno, Daniela A., Kirch, Alexsandro, Miranda, Caetano R.
Published in Applied surface science (30.10.2024)
Published in Applied surface science (30.10.2024)
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