Search Results - "Barbosa, Marcia C."
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1
Atmospheric water harvesting using functionalized carbon nanocones
Published in Beilstein journal of nanotechnology (2023)“…In this work, we propose a method to harvest liquid water from water vapor using carbon nanocones. The condensation occurs due to the presence of hydrophilic…”
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2
Open Access Publications with Article Processing Charge (APC) Payment: a Brazilian Scenario Analysis
Published in Anais da Academia Brasileira de Ciências (01-01-2021)“…Abstract The expansion of open access publications has been correlated with specific government policies in many countries. The evolution in these cases is…”
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3
Androcentrism in the scientific field: Brazilian systems of graduate studies, science and technology as a case study
Published in Anais da Academia Brasileira de Ciências (01-01-2023)“…This article performs an analysis of female participation in science, in the Brazilian system of graduate studies and scientific research as a case study. This…”
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4
Core-softened potentials, multiple liquid-liquid critical points, and density anomaly regions: An exact solution
Published in Frontiers of physics (01-02-2018)“…The pressure versus temperature phase diagram of a shoulder-like potential is exactly computed in one system of particles interacting through a multiscale…”
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5
Misogyny in Brazilian Federal Government Agencies for Science and High-Education
Published in Anais da Academia Brasileira de Ciências (01-01-2021)“…Abstract The transformation of women’s role in society has been systematically studied. Numerous authors point out that among the factors of extreme relevance…”
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6
Geographic and Gender Diversity in the Brazilian Academy of Sciences
Published in Anais da Academia Brasileira de Ciências (01-08-2018)“…Recent studies have shown that diversity in race and gender is important to improve competitiveness, creativity and innovation. However, many studies have…”
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7
Scientometric indicators for Brazilian research on High Energy Physics, 1983-2013
Published in Anais da Academia Brasileira de Ciências (01-01-2017)“…This article presents an analysis of Brazilian research on High Energy Physics (HEP) indexed by Web of Science (WoS) from 1983 to 2013. Scientometric…”
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8
Article processing charge (APC) for publishing open access articles: the Brazilian scenario
Published in Scientometrics (01-11-2018)“…The article processing charge (APC) provides economic sustainability for scientific journals that publish in open access (OA). In this work, documents…”
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9
Sodium Chloride, NaCl/ϵ: New Force Field
Published in The journal of physical chemistry. B (10-03-2016)“…A new computational model for sodium chloride, the NaCl/ϵ, is proposed. The force field employed for the description of the NaCl is based on a set of radial…”
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10
Water in nanotubes: The surface effect
Published in Chemical engineering science (10-08-2019)“…[Display omitted] •Nanotube functionalization offers means to achieve high water flow and selectivity.•Fluids thermodynamics and dynamics highly affected by…”
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11
Density functional theory study of π-aromatic interaction of benzene, phenol, catechol, dopamine isolated dimers and adsorbed on graphene surface
Published in Journal of molecular modeling (01-10-2019)“…We analyze the influence of different groups on the intermolecular energy of aromatic homodimers and on the interaction between a single aromatic molecule and…”
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12
Accuracy of TIP4P/2005 and SPC/Fw Water Models
Published in The journal of physical chemistry. B (01-02-2024)“…Water is used as the main solvent in model systems containing bioorganic molecules. Choosing the right water model is an important step in the study of the…”
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13
Flow through Deformed Carbon Nanotubes Predicted by Rigid and Flexible Water Models
Published in The journal of physical chemistry. B (12-10-2023)“…In this study, using nonequilibrium molecular dynamics simulation, the flow of water in deformed carbon nanotubes is studied for two water models TIP4P/2005…”
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14
New Structural Anomaly Induced by Nanoconfinement
Published in The journal of physical chemistry. B (08-01-2015)“…We explore the structural properties of anomalous fluids confined in a nanopore using molecular dynamics simulations. The fluid is modeled by core-softened…”
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15
Relation Between Flow Enhancement Factor and Structure for Core-Softened Fluids Inside Nanotubes
Published in The journal of physical chemistry. B (13-06-2013)“…The relationship between enhancement flow and structure of core-softened fluids confined inside nanotubes has been studied using nonequilibrium molecular…”
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16
Role of the hydrophobic and hydrophilic sites in the dynamic crossover of the protein-hydration water
Published in Physica A (15-02-2017)“…Molecular dynamics simulations were performed to study the water structure and dynamics in the hydration shell of the globular TS-Kappa protein. The results…”
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17
Structure and dynamics of nanoconfined water and aqueous solutions
Published in The European physical journal. E, Soft matter and biological physics (01-11-2021)“…This review is devoted to discussing recent progress on the structure, thermodynamic, reactivity, and dynamics of water and aqueous systems confined within…”
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18
Universality, correlations, and rankings in the Brazilian universities national admission examinations
Published in Physica A (01-09-2016)“…We analyze the scores obtained by students who have taken the ENEM examination, The Brazilian High School National Examination which is used in the admission…”
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19
Water diffusion in carbon nanotubes under directional electric frields: Coupling between mobility and hydrogen bonding
Published in Chemical physics (01-09-2020)“…[Display omitted] •Diffusion coefficient highly impacted by the field intensity and directionality.•Perpendicular fields can enhance water diffusion.•The…”
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20
Relation between structural and dynamical anomalies in supercooled water
Published in Physica A (01-11-2002)“…We step toward the elucidation of the relation between the structural and dynamic anomalies in supercooled water. We present the results of molecular dynamics…”
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