Júlio R. Sambrano : rechercher sur Z-Library

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1

All electron fully relativistic Dirac–Fock calculation for darmstadtium carbide using prolapse free basis set

Luiz Guilherme M. de Macedo, Julio R. Sambrano, Aguinaldo R. de Souza, Antonio Carlos Borin

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 195 KB

english, 2007

2

Structural and optical properties of CaTiO3 perovskite-based materials obtained by microwave-assisted hydrothermal synthesis: An experimental and theoretical insight

Mario L. Moreira, Elaine C. Paris, Gabriela S. do Nascimento, Valeria M. Longo, Julio R. Sambrano, Valmor R. Mastelaro, Maria I.B. Bernardi, Juan Andrés, José A. Varela, Elson Longo

Journal:

Acta Materialia

Année:

2009

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2009

3

Synthesis of wurtzite ZnS nanoparticles using the microwave assisted solvothermal method

La Porta, Felipe A., Ferrer, Mateus M., de Santana, Yuri V.B., Raubach, Cristiane W., Longo, Valéria M., Sambrano, Júlio R., Longo, Elson, Andrés, Juan, Li, Máximo S., Varela, José A.

Journal:

Journal of Alloys and Compounds

Année:

2013

Langue:

english

Fichier:

PDF, 1006 KB

english, 2013

4

New 2D nanosheets based on the octa-graphene

Fabris, Guilherme S.L., Paskocimas, Carlos A., Sambrano, Julio R., Paupitz, Ricardo

Journal:

Journal of Solid State Chemistry

Année:

2020

Fichier:

PDF, 4.87 MB

2020

5

NH3+N2O3 reaction. High level calculations

Nelson H. Morgon, Aguinaldo R. De Souza, Júlio R. Sambrano

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2006

Langue:

english

Fichier:

PDF, 673 KB

english, 2006

6

Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(1 1 0) surfaces and the interaction with O2

Fabrı́cio R Sensato, Rogério Custódio, Mònica Calatayud, Armando Beltrán, Juan Andrés, Julio R Sambrano, Elson Longo

Journal:

Surface Science

Année:

2002

Langue:

english

Fichier:

PDF, 231 KB

english, 2002

7

A joint theoretical and kinetic investigation on the fragmentation of (N-halo)-2-amino cycloalkanecarboxylates

Joaquim J Queralt, Juan Andrés, Moisés Canle L, J Hermógenes Cobas, Juan A Santaballa, Julio R Sambrano

Journal:

Chemical Physics

Année:

2002

Langue:

english

Fichier:

PDF, 328 KB

english, 2002

8

Structural and electronic properties of PbTiO3 slabs: a DFT periodic study

Sergio de Lazaro, Elson Longo, Julio Ricardo Sambrano, Armando Beltrán

Journal:

Surface Science

Année:

2004

Langue:

english

Fichier:

PDF, 674 KB

english, 2004

9

Strutural and optical approach of CdS@ZnS core–shell system

Cristiane W. Raubach, Yuri V.B. de Santana, Mateus M. Ferrer, Valéria M. Longo, José A. Varela, Waldir Avansi Jr., Prescila G.C. Buzolin, Júlio R. Sambrano, Elson Longo

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 529 KB

english, 2012

10

Photocatalytic activity of semiconductor sulfide heterostructures

Raubach, Cristiane W., De Santana, Yuri V. B., Ferrer, Mateus M., Buzolin, Prescila G. C., Sambrano, Júlio R., Longo, Elson

Journal:

Dalton Transactions

Année:

2013

Langue:

english

Fichier:

PDF, 1.68 MB

english, 2013

11

Structural, electronic and optical properties of Fe(III) complex with pyridine-2,6-dicarboxylic acid: A combined experimental and theoretical study

La Porta, Felipe A., Ramos, Paulize H., de Resende, Eliane C., Guerreiro, Mario C., Giacoppo, Juliana O.S., Ramalho, Teodorico C., Sambrano, Julio R., Andrés, Juan, Longo, Elson

Journal:

Inorganica Chimica Acta

Année:

2014

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2014

12

DFT Study on Ce-Doped Anatase TiO 2 : Nature of Ce 3+ and Ti 3+ Centers Triggered by Oxygen Vacancy Formation

Albuquerque, Anderson R., Bruix, Albert, dos Santos, Iêda M. G., Sambrano, Julio R., Illas, Francesc

Journal:

The Journal of Physical Chemistry C

Année:

2014

Langue:

english

Fichier:

PDF, 5.48 MB

english, 2014

13

Experimental and theoretical approach of nanocrystalline TiO2 with antifungal activity

Longo, Valeria M., Picon, Francini C., Zamperini, Camila, Albuquerque, Anderson R., Sambrano, Julio R., Vergani, Carlos E., Machado, Ana L., Andrés, Juan, Hernandes, Antônio C., Varela, José A., Longo

Journal:

Chemical Physics Letters

Année:

2013

Langue:

english

Fichier:

PDF, 1.65 MB

english, 2013

14

Preparation of TiO 2 /SnO 2 Thin Films by Sol–Gel Method and Periodic B3LYP Simulations

Floriano, Emerson A., Scalvi, Luis V. A., Saeki, Margarida J., Sambrano, Julio R.

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 1.96 MB

english, 2014

15

Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1,2,4-thiadiazole derivatives

Vega-Teijido, Mauricio Angel, El Chamy Maluf, Sarah, Bonturi, Camila Ramalho, Sambrano, Julio Ricardo, Ventura, Oscar N.

Journal:

Journal of Molecular Modeling

Année:

2014

Langue:

english

Fichier:

PDF, 1.44 MB

english, 2014

16

Joint Experimental and Theoretical Analysis of Order−Disorder Effects in Cubic BaZrO 3 Assembled Nanoparticles under Decaoctahedral Shape

Moreira, Mário Lúcio, Buzolin, Prescila Glaucia Cristianine, Longo, Valeria Moraes, Nicoleti, Nelio Henrique, Sambrano, Julio Ricardo, Li, Maximu S., Varela, José Arana, Longo, Elson

Journal:

Journal of Physical Chemistry A

Année:

2011

Langue:

english

Fichier:

PDF, 4.34 MB

english, 2011

17

Theoretical Study on the Reaction Mechanism of VO 2+ with Propyne in Gas Phase

Gracia, Lourdes, Polo, Victor, Sambrano, Julio R., Andrés, Juan

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 581 KB

english, 2008

18

Different Origins of Green-Light Photoluminescence Emission in Structurally Ordered and Disordered Powders of Calcium Molybdate †

Longo, Valéria M., Figueiredo, Alberthmeiry T. de, Campos, Adaci B., Espinosa, Jose W. M., Hernandes, Antônio C., Taft, C. A., Sambrano, Julio R., Varela, José A., Longo, Elson

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2008

19

DFT Study with Inclusion of the Grimme Potential on Anatase TiO 2 : Structure, Electronic, and Vibrational Analyses

Albuquerque, Anderson R., Garzim, Marcos L., Santos, Iêda M. G. dos, Longo, Valeria, Longo, Elson, Sambrano, Julio R.

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2012

20

Hydrostatic and [001] Uniaxial Pressure on Anatase TiO 2 by Periodic B3LYP-D* Calculations

Albuquerque, Anderson R., Maul, Jefferson, Longo, Elson, dos Santos, Iêda M. G., Sambrano, Julio R.

Journal:

The Journal of Physical Chemistry C

Année:

2013

Langue:

english

Fichier:

PDF, 1.79 MB

english, 2013

21

A DFT Study of Structural and Electronic Properties of ZnS Polymorphs and its Pressure-Induced Phase Transitions

La Porta, Felipe A., Gracia, Lourdes, Andrés, Juan, Sambrano, Júlio R., Varela, Jose A., Longo, Elson, Zhou, Y.

Journal:

Journal of the American Ceramic Society

Année:

2014

Langue:

english

Fichier:

PDF, 1.55 MB

english, 2014

22

, 0.25, 0.50, and 0.75): A theoretical and experimental approach

de Lázaro, Sérgio Ricardo, de Lucena, Poty Rodrigues, Sambrano, Júlio Ricardo, Pizani, Paulo Sérgio, Beltrán, Armando, Varela, José Arana, Longo, Elson

Journal:

Physical Review B

Année:

2007

Langue:

english

Fichier:

PDF, 282 KB

english, 2007

23

Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO2 nanoparticles

Raubach, Cristiane W., Polastro, Lisânias, Ferrer, Mateus M., Perrin, Andre, Perrin, Christiane, Albuquerque, Anderson R., Buzolin, Prescila G. C., Sambrano, Julio R., de Santana, Yuri B. V., Varela,

Journal:

Journal of Applied Physics

Année:

2014

Langue:

english

Fichier:

PDF, 5.07 MB

english, 2014

24

Theoretical Study of the Stoichiometric and Reduced Ce-Doped TiO 2 Anatase (001) Surfaces

Albuquerque, Anderson R., Bruix, Albert, Sambrano, Julio R., Illas, Francesc

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 2.18 MB

english, 2015

25

Antimicrobial activity of TiO2:Ag nanocrystalline heterostructures: Experimental and theoretical insights

André, Rafaela S., Zamperini, Camila A., Mima, Ewerton G., Longo, Valéria M., Albuquerque, Anderson R., Sambrano, Júlio R., Machado, Ana L., Vergani, Carlos E., Hernandes, Antonio C., Varela, José A.,

Journal:

Chemical Physics

Année:

2015

Langue:

english

Fichier:

PDF, 1.15 MB

english, 2015

26

Fully relativistic prolapse-free Gaussian basis sets: The actinides and [sub 81]Tl–[sub 88]Ra

de Macedo, Luiz Guilherme M., Angelotti, Wagner F. D., Sambrano, Julio R., de Souza, Aguinaldo R.

Journal:

The Journal of Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 58 KB

english, 2008

27

Periodic density functional theory study of structural and electronic properties of single-walled zinc oxide and carbon nanotubes

Marana, Naiara L., Albuquerque, Anderson R., La Porta, Felipe A., Longo, Elson, Sambrano, Julio R.

Journal:

Journal of Solid State Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 3.09 MB

english, 2016

28

Structural, Electronic, Vibrational and Topological Analysis of Single-Walled Zinc Oxide Nanotubes

Marana, Naiara L, Casassa, Silvia, Longo, Elson, Sambrano, Julio Ricardo

Journal:

The Journal of Physical Chemistry C

Année:

2016

Langue:

english

Fichier:

PDF, 6.15 MB

english, 2016

29

Choice of hybrid functional and basis set optimization to calculate the structural, electronic, mechanical, and vibrational properties of BaSnO3

Duarte, Thiago M., Buzolin, Prescila G. C., Santos, Ieda M. G., Longo, Elson, Sambrano, Julio R.

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2016

Langue:

english

Fichier:

PDF, 1.40 MB

english, 2016

30

Modeling the atomic-scale structure, stability, and morphological transformations in the tetragonal phase of LaVO4

Gouveia, Amanda F., Ferrer, Mateus M., Sambrano, Júlio R., Andrés, Juan, Longo, Elson

Journal:

Chemical Physics Letters

Année:

2016

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2016

31

4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra

Amador, Davi H.T., de Oliveira, Heibbe C.B., Sambrano, Julio R., Gargano, Ricardo, de Macedo, Luiz Guilherme M.

Journal:

Chemical Physics Letters

Année:

2016

Langue:

english

Fichier:

PDF, 586 KB

english, 2016

32

Piezoelectric, elastic, Infrared and Raman behavior of ZnO wurtzite under pressure from periodic DFT calculations

Marana, Naiara Letícia, Casassa, Silvia Maria, Sambrano, Julio Ricardo

Journal:

Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2017

33

Adsorption of NH 3 with Different Coverages on Single-Walled ZnO Nanotube: DFT and QTAIM Study

Marana, Naiara L., Casassa, Silvia M., Sambrano, Julio R.

Journal:

The Journal of Physical Chemistry C

Année:

2017

Langue:

english

Fichier:

PDF, 6.41 MB

english, 2017

34

Computational study of Th4+and Np4+hydration and hydrolysis of Th4+from first principles

Amador, Davi H. T., Sambrano, Julio R., Gargano, Ricardo, de Macedo, Luiz Guilherme M.

Journal:

Journal of Molecular Modeling

Année:

2017

Langue:

english

Fichier:

PDF, 620 KB

english, 2017

35

α-Ag 2–2 x Zn x WO 4 (0 ≤ x ≤ 0.25) Solid Solutions: Structure, Morphology, and Optical Properties

Pereira, Paula F. S., Santos, Clayane C., Gouveia, Amanda F., Ferrer, Mateus M., Pinatti, Ivo M., Botelho, Gleice, Sambrano, Julio R., Rosa, Ieda L. V., Andrés, Juan, Longo, Elson

Journal:

Inorganic Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 5.39 MB

english, 2017

36

Erratum to: Computational study of Th4+and Np4+hydration and hydrolysis of Th4+from first principles

Davi H. T. Amador,Julio R. Sambrano,Ricardo Gargano…

Journal:

Journal of Molecular Modeling

Année:

2017

Langue:

english

Fichier:

PDF, 180 KB

english, 2017

37

A theoretical and experimental investigation of Eu-doped ZnO nanorods and its application on dye sensitized solar cells

Vale da Fonseca, André Felipe, Siqueira, Renato Luiz, Landers, Richard, Ferrari, Jefferson Luis, Marana, Naiara L., Sambrano, Júlio R., La Porta, Felipe de Almeida, Schiavon, Marco Antônio

Journal:

Journal of Alloys and Compounds

Année:

2017

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2017

38

Theoretical methods for calculations of optical phonons in BiOBr: Analysis and correction of propagated errors

Ferrer, Mateus M., Rodrigues, João Elias F.S., Almeida, Marcio A.P., Moura, Francisco, Longo, Elson, Pizani, Paulo S., Sambrano, Julio R.

Journal:

Journal of Raman Spectroscopy

Année:

2018

Langue:

english

Fichier:

PDF, 720 KB

english, 2018

39

A Quantum-Mechanical investigation of Oxygen Vacancy and Copper Doping in the Orthorhombic CaSnO 3 Perovskite

Maul, Jefferson, do Santos, Ieda, Sambrano, Julio R., Casassa, Silvia, Erba, Alessandro

Journal:

Physical Chemistry Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 4.03 MB

english, 2018

40

Propriedades eletrônicas, estruturais e constantes elásticas do ZnO

Marana, Naiara Letícia, Sambrano, Julio Ricardo, Souza, Aguinaldo Robinson de

Journal:

Année:

2010

Fichier:

PDF, 892 KB

2010

41

Computational Simulations of Morphological Transformations by Surface Structures: The Case of Rutile TiO2 phase

Barbosa, Matheus de Aquino, Fabris, Guilherme da Silva Lopes, Ferrer, Mateus Meneghetti, Azevedo, Douglas Henrique Marcelino de, Sambrano, Julio Ricardo

Journal:

Materials Research

Année:

2017

Langue:

english

Fichier:

PDF, 620 KB

english, 2017

42

-Ag 2 MoO 4 microcrystals: Correlation between experimental and theoretical data

Sousa, Giancarlo da Silva, Nobre, Francisco Xavier, Araújo Júnior, Edgar Alves, Sambrano, Julio Ricardo, Albuquerque, Anderson dos Reis, Bindá, Rosane dos Santos, Couceiro, Paulo Rogério da Costa, Bri

Journal:

Arabian Journal of Chemistry

Année:

2018

Fichier:

PDF, 6.26 MB

2018

43

-Ag 2 MoO 4 microcrystals: Correlation between experimental and theoretical data

Sousa, Giancarlo da Silva, Nobre, Francisco Xavier, Araújo Júnior, Edgar Alves, Sambrano, Julio Ricardo, Albuquerque, Anderson dos Reis, Bindá, Rosane dos Santos, Couceiro, Paulo Rogério da Costa, Bri

Journal:

Arabian Journal of Chemistry

Année:

2018

Langue:

english

Fichier:

PDF, 6.26 MB

english, 2018

44

Conducting Behavior of Crystalline α-PbO2 as Revealed by DFT Calculations

Cordeiro, João Manuel Marques, Azevedo, Douglas Henrique Marcelino de, Barretto, Tatiana Conceição Machado, Sambrano, Julio Ricardo

Journal:

Materials Research

Année:

2017

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2017

45

Evaluation of bulk and surfaces absorption edge energy of sol-gel-dip-coating SnO2 thin films

Floriano, Emerson Aparecido, Scalvi, Luis Vicente de Andrade, Sambrano, Julio Ricardo, Geraldo, Viviany

Journal:

Materials Research

Année:

2010

Langue:

english

Fichier:

PDF, 886 KB

english, 2010

46

Efeitos da adição de átomos de Mn na rede do GaN via métodos de estrutura eletrônica

Mazini, Melânia Cristina, Sambrano, Julio Ricardo, Cavalheiro, Alberto Adriano, Leite, Douglas Marcel Gonçalves, Silva, José Humberto Dias da

Journal:

Année:

2010

Fichier:

PDF, 539 KB

2010

47

Propriedades eletrônicas e estruturais do PbTiO3: teoria do funcional de densidade aplicada a modelos periódicos

Lázaro, Sérgio Ricardo de, Longo, Elson, Beltran, Armando, Sambrano, Júlio Ricardo

Journal:

Année:

2005

Fichier:

PDF, 1.10 MB

2005

48

Piezoelectric Response of Porous Nanotubes Derived from Hexagonal Boron Nitride under Strain Influence

Fabris, Guilherme S. L., Marana, Naiara L., Longo, Elson, Sambrano, Julio R.

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 2.10 MB

english, 2018

49

First-principles Simulation of Elastic Constants and Electronic Properties of GaN

Sambrano, Julio, `Toniatto, Elen

Journal:

Current Physical Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 3.18 MB

english, 2014

50

Structural, electronic and mechanical properties of single-walled AlN and GaN nanotubes via DFT/B3LYP

Pinhal, Giovanne B., Marana, Naiara L., Fabris, Guilherme S. L., Sambrano, Julio R.

Journal:

Theoretica Chimica Acta

Année:

2019

Langue:

english

Fichier:

PDF, 1.81 MB

english, 2019