Zobrazeno 1 - 9 of 9 pro vyhledávání: '"Paulo H. R. Amaral"'
1
Descriptor for positron binding to atoms
Autor: Paulo H. R. Amaral, José R. Mohallem
Publikováno v: Physical Review A. 104
Systematic theoretical data of positron binding to atoms [C. Harabati, V. A. Dzuba, and V. V. Flambaum, Phys. Rev. A 89, 022517 (2014)] are handled by machine learning techniques. Despite the existence of unsystematic errors in the calculations, it b
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8cdeada9f59a1342bc9e421cd7abd01b
https://doi.org/10.1103/physreva.104.042808
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2
A Machine Learning Model for Adsorption Energies of Chemical Species Applied to CO2 Electroreduction
Autor: Paulo H. R. Amaral, Alvaro D. Torrez-Baptista, Dawany Dionisio, Thiago Lopes, Julio R. Meneghini, Caetano R. Miranda
Publikováno v: Journal of The Electrochemical Society. 169:116505
Machine learning methods are applied to obtain adsorption energies of different chemical species on (100), (111), and (211) FCC surfaces of several transition metals and Pb. Based on information available in databases containing adsorption energies o
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4dc179ed6cc33db856b2760be9aea521
https://doi.org/10.1149/1945-7111/ac9f7a
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3
Machine-learning predictions of positron binding to molecules
Autor: Paulo H. R. Amaral, José R. Mohallem
Publikováno v: Physical Review A. 102
Machine-learning techniques are used to check the theoretical and experimental predictions of positron binding to general molecules. The bound or unbound character of previous calculations for polar molecules are mostly confirmed. Binding for so far
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1c1cd1c56663d19d9627b0d445b046b6
https://doi.org/10.1103/physreva.102.052808
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4
Impact of COVID-19 in Minas Gerais, Brazil: Excess Deaths, Sub-Notified Cases, Geographic and Ethnic Distribution
Autor: Flávio Guimarães da Fonseca, Lídia M. Andrade, Paulo H. R. Amaral, Juan Carlos González Perez
Publikováno v: Transboundary and Emerging Diseases
By analysing the evolution of the COVID‐19 epidemic in the state of Minas Gerais, Brazil, we showed the importance of considering the sub‐notification not only of deaths but also of infected cases. It was shown that the largely used criteria of a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c664b232ff61f0cd87a7665500341f84
https://doi.org/10.22541/au.159986586.66727520
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5
Non-adiabatic effects in the H(3)(+) spectrum
Autor: Ludwik Adamowicz, José R. Mohallem, Monika Stanke, Leonardo G. Diniz, Paulo H. R. Amaral, Alexander Alijah
Publikováno v: Philos Trans A Math Phys Eng Sci
The effect of non-adiabatic coupling on the computed rovibrational energy levels amounts to about 2 cm −1 for H 3 + and must be included in high-accuracy calculations. Different strategies to obtain the corresponding energy shifts are reviewed in t
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a84fbce0b8a779d39f6670c51e6d24ed
https://europepmc.org/articles/PMC6710893/
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7
Core-valence stockholder AIM analysis and its connection to nonadiabatic effects in small molecules
Autor: Paulo H. R. Amaral, José R. Mohallem
Publikováno v: The Journal of Chemical Physics. 146:194103
A previous theory of separation of motions of core and valence fractions of electrons in a molecule [J. R. Mohallem et al., Chem. Phys. Lett. 501, 575 (2011)] is invoked as basis for the useful concept of Atoms-in-Molecules (AIM) in the stockholder s
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a85a22c302b7421ff96aaf0461b9f687
https://doi.org/10.1063/1.4983394
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