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Pedroza, Luana S
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1

Size and Quality of Quantum Mechanical Data Set for Trainin..:

Gomes-Filho, Márcio S. ; Torres, Alberto ; Reily Rocha, Alexandre.
The Journal of Physical Chemistry B.  127 (2023)  6 - p. 1422-1428 , 2023
Link: https://doi.org/10.1021/..
 
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2

Using Neural Network Force Fields to Ascertain the Quality ..:

Torres, Alberto ; Pedroza, Luana S. ; Fernandez-Serra, Marivi.
The Journal of Physical Chemistry B.  125 (2021)  38 - p. 10772-10778 , 2021
Link: https://doi.org/10.1021/..
 
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3

Interaction of Water with the Gypsum (010) Surface: Structu..:

Santos, Jaciara C. C. ; Negreiros, Fabio R. ; Pedroza, Luana S...
Journal of the American Chemical Society.  140 (2018)  49 - p. 17141-17152 , 2018
Link: https://doi.org/10.1021/..
 
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4

Bias-dependent local structure of water molecules at a meta..:

Pedroza, Luana S. ; Brandimarte, Pedro ; Rocha, Alexandre Reily.
Chemical Science.  9 (2018)  1 - p. 62-69 , 2018
Link: https://doi.org/10.1039/..
 
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5

Effect of Charges on the Interaction of a Water Molecule wi..:

Negreiros, Fabio R. ; Pedroza, Luana S. ; Dalpian, Gustavo M.
The Journal of Physical Chemistry C.  120 (2016)  22 - p. 11918-11925 , 2016
Link: https://doi.org/10.1021/..
 
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6

Humidity sensing effect in Bi25FeO39 sillenite-like compoun:

Ramirez, F. E. N. ; Espinosa, E. E. ; Pedroza, Luana S..
Journal of Materials Science.  51 (2016)  24 - p. 10982-10989 , 2016
Link: https://doi.org/10.1007/..
 
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7

Local order of liquid water at metallic electrode surfaces:

Pedroza, Luana S. ; Poissier, Adrien ; Fernández-Serra, M.-V.
The Journal of Chemical Physics.  142 (2015)  3 - p. , 2015
Link: https://doi.org/10.1063/..
 
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8

Temperature and composition dependence of short-range order..:

Liu, Jian ; Pedroza, Luana S ; Misch, Carissa..
Journal of Physics: Condensed Matter.  26 (2014)  27 - p. 274204 , 2014
Link: https://doi.org/10.1088/..
 
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9

Water Dissociation at the GaN(101̅0) Surface: Structure, Dy..:

Wang, Jue ; Pedroza, Luana S. ; Poissier, Adrien.
The Journal of Physical Chemistry C.  116 (2012)  27 - p. 14382-14389 , 2012
Link: https://doi.org/10.1021/..
 
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10

Systematic investigation of a family of gradient-dependent ..:

Haas, Philipp ; Tran, Fabien ; Blaha, Peter...
Physical Review B.  81 (2010)  12 - p. , 2010
Link: https://doi.org/10.1103/..
 
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11

Gradient-dependent density functionals of the Perdew-Burke-..:

Pedroza, Luana S. ; da Silva, Antonio J. R. ; Capelle, K.
Physical Review B.  79 (2009)  20 - p. , 2009
Link: https://doi.org/10.1103/..
 
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12

Adiabatic intramolecular movements for water systems:

Pedroza, Luana S. ; da Silva, Antônio J. R.
The Journal of Chemical Physics.  128 (2008)  10 - p. , 2008
Link: https://doi.org/10.1063/..
 
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13

Ab initioMonte Carlo simulations applied to aSi5cluster:

Pedroza, Luana S. ; da Silva, Antônio J. R.
Physical Review B.  75 (2007)  24 - p. , 2007
Link: https://doi.org/10.1103/..
 
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14

Simple implementation of complex functionals: Scaled self-c..:

Lima, Matheus P. ; Pedroza, Luana S. ; da Silva, Antonio J. R....
The Journal of Chemical Physics.  126 (2007)  14 - p. , 2007
Link: https://doi.org/10.1063/..
 
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15

Size and Quality of Quantum Mechanical Data Sets for Traini..:

Gomes-Filho, Márcio S ; Torres, Alberto ; Rocha, Alexandre Reily.
http://arxiv.org/abs/2209.04059.  , 2022
Link: http://arxiv.org/abs/220..
 
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