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1

An ab initio study of oxygen vacancies and doping process of Nb and Cr atoms on TiO2 (110) surface models

J. R. Sambrano, J. Andrés, A. Beltrán, F. R. Sensato, E. R. Leite, F. M. L. G. Stamato, E. Longo

Journal:

International Journal of Quantum Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 193 KB

english, 1997

2

Why Do Peroxomolybdenum Complexes Chemoselectively Oxidize the Sulfur Centers of Unsaturated Sulfides and Sulfoxides? A DFT Analysis

Fabrício R. Sensato, Rogério Custodio, Elson Longo, Vicent S. Safont, Juan Andrés

Journal:

European Journal of Organic Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 151 KB

english, 2005

3

Analysis of the segmented contraction of basis functions using density matrix theory

Rogério Custodio, André Severo Pereira Gomes, Fabrício Ronil Sensato, Júlio Murilo dos Santos Trevas

Journal:

Journal of Computational Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 295 KB

english, 2006

4

The nature of the chemical bond in di- and polynuclear metal cluster complexes as depicted by the analysis of the electron localization function

Juan Andrés, Slawomir Berski, Marta Feliz, Rosa Llusar, Fabricio Sensato, Bernard Silvi

Journal:

Comptes Rendus Chimie

Année:

2005

Fichier:

PDF, 425 KB

2005

5

Theoretical study of the structure and stability of NbxOy and NbxOy+ (x=1–3; y=2–5, 7, 8) clusters

J.R. Sambrano, J. Andrés, A. Beltrán, F. Sensato, E. Longo

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 152 KB

english, 1998

6

Preparation, crystal structure determination and properties of adducts of indium methylene compounds with Group 15 donors

L. de Araújo Felix, C.A.F. de Oliveira, R.K. Kross, C. Peppe, M.A. Brown, D.G. Tuck, M.Z. Hernandes, E. Longo, F.R. Sensato

Journal:

Journal of Organometallic Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 155 KB

english, 2000

7

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

8

The use of the generator coordinate method for designing basis set. Application to oxo-diperoxo molybdenum complexes

Fabrı́cio R Sensato, Rogério Custodio, Quezia B Cass, Elson Longo, Marcelo Z Hernandes, Ricardo L Longo, Juan Andrés

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2002

Langue:

english

Fichier:

PDF, 252 KB

english, 2002

9

Electronic and structural properties of SnxTi1−xO2 solid solutions: a periodic DFT study

Fabrício R. Sensato, Rogério Custodio, Elson Longo, Armando Beltrán, Juan Andrés

Journal:

Catalysis Today

Année:

2003

Langue:

english

Fichier:

PDF, 182 KB

english, 2003

10

Rheological properties of tin oxide suspensions

Iêda Maria Garcia dos Santos, Antônio Gouveia de Souza, Fabrı́cio Ronil Sensato, Edson Roberto Leite, Elson Longo, José Arana Varela

Journal:

Journal of the European Ceramic Society

Année:

2002

Langue:

english

Fichier:

PDF, 348 KB

english, 2002

11

Preface

Fabricio R. Sensato

Journal:

Scientific Modeling and Simulation SMNS

Année:

2005

Langue:

english

Fichier:

PDF, 34 KB

english, 2005

12

The origin of photoluminescence in amorphous lead titanate

E. R. Leite, E. C. Paris, F. M. Pontes, C. A. Paskocimas, E. Longo, F. Sensato, C. D. Pinheiro, J. A. Varela, P. S. Pizani, C. E. M. Campos, F. Lanciotti

Journal:

Journal of Materials Science

Année:

2003

Langue:

english

Fichier:

PDF, 113 KB

english, 2003

13

Olefin Epoxidation by Molybdenum Peroxo Compound: Molecular Mechanism Characterized by the Electron Localization Function and Catastrophe Theory

Berski, Slawomir, Sensato, Fabrício R., Polo, Victor, Andrés, Juan, Safont, V. S.

Journal:

Journal of Physical Chemistry A

Année:

2011

Langue:

english

Fichier:

PDF, 2.31 MB

english, 2011

14

A joint computational and experimental study of a novel dioxomolybdenum(VI) complex bearing chiral N,N-dimethyllactamide ligand

Fabricio Ronil Sensato, Quezia Bezerra Cass, Bianca Rebelo Lopes, Tiago Campos Lourenço, Julio Zukerman-Schpector, Edward R.T. Tiekink, Elson Longo, Juan Andrés

Journal:

Inorganica Chimica Acta

Année:

2011

Langue:

english

Fichier:

PDF, 533 KB

english, 2011

15

Recent research developments in SnO2-based varistors

M.R. Cássia-Santos, V.C. Sousa, M.M. Oliveira, F.R. Sensato, W.K. Bacelar, J.W. Gomes, E. Longo, E.R. Leite, J.A. Varela

Journal:

Materials Chemistry and Physics

Année:

2005

Langue:

english

Fichier:

PDF, 328 KB

english, 2005

16

Theoretical analysis of the energy levels induced by oxygen vacancies and the doping process (Co, Cu and Zn) on SnO2 (110) surface models

F.R. Sensato, O. Treu Filho, E. Longo, J.R. Sambrano, J. Andrés

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2001

Langue:

english

Fichier:

PDF, 174 KB

english, 2001

17

A theoretical study of lithium ion interaction with tin oxide

Fabricio R. Sensato, E. Longo, L.O.S. Bulhões, J.D. Santos, J.B.L. Martins

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1997

Langue:

english

Fichier:

PDF, 506 KB

english, 1997

18

Sulfide and Sulfoxide Oxidations by Mono- and Diperoxo Complexes of Molybdenum. A Density Functional Study

Sensato, Fabrício R., Custodio, Rogério, Longo, E., Safont, Vicent S., Andres, Juan

Journal:

Journal of Organic Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 187 KB

english, 2003

19

Static simulation of bulk and selected surfaces of anatase TiO2

A Beltrán, J.R Sambrano, M Calatayud, F.R Sensato, J Andrés

Journal:

Surface Science

Année:

2001

Langue:

english

Fichier:

PDF, 823 KB

english, 2001

20

Structural and Electronic Properties of Lithiated SnO 2 . A Periodic DFT Study

Sensato, Fabrício R., Gracia, Lourdes, Beltrán, Armando, Andrés, Juan, Longo, Elson

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 2.03 MB

english, 2012

21

Sulfonamide–metal complexes endowed with potent anti- Trypanosoma cruzi activity

Chohan, Zahid H., Hernandes, Marcelo Zaldini, Sensato, Fabricio R., Moreira, Diogo Rodrigo Magalhaes, Alves Pereira, Valéria Rego, Neves, Juliana Kelle de Andrade Lemoine, de Oliveira, Andresa Pereira

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 474 KB

english, 2014

22

Combined Theoretical and Experimental Analysis of the Bonding in the Heterobimetallic Cubane-Type Mo 3 NiS 4 and Mo 3 CuS 4 Core Clusters

Andrés, Juan, Feliz, Marta, Fraxedas, Jordi, Hernández, Victor, López-Navarrete, Juan T., Llusar, Rosa, Sauthier, Guillaume, Sensato, Fabricio R., Silvi, Bernard, Bo, Carles, Campanera, Josep M.

Journal:

Inorganic Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 219 KB

english, 2007

23

Oxygen Atom Transfer Reactions from Mimoun Complexes to Sulfides and Sulfoxides. A Bonding Evolution Theory Analysis

González-Navarrete, Patricio, Sensato, Fabricio R., Andrés, Juan, Longo, Elson

Journal:

Journal of Physical Chemistry A

Année:

2014

Langue:

english

Fichier:

PDF, 2.25 MB

english, 2014

24

Coordination Chemistry of Br 2 InCH 2 Br: Coordination at the Metal Center

de Carvalho, Antonio B., de Maurera, Maria A. M. A., Nobrega, José A., Peppe, Clovis, Brown, Martyn A., Tuck, Dennis G., Hernandes, Marcelo Z., Longo, Elson, Sensato, Fabricio R.

Journal:

Organometallics

Année:

1999

Langue:

english

Fichier:

PDF, 110 KB

english, 1999

25

Molecular Structure of the Molybdenum Oxo-Diperoxo Compound MoO(O 2 ) 2 (OPy)(H 2 O): A Computational and X-ray Study

Sensato, Fabrício R., Cass, Quezia B., Longo, Elson, Zukerman-Schpector, Julio, Custodio, Rogerio, Andrés, Juan, Hernandes, Marcelo Zaldini, Longo, Ricardo L.

Journal:

Inorganic Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 52 KB

english, 2001

26

Conformational study of the electronic interactions and nitric oxide release potential of new S‑nitrosothiols esters derivatives of ibuprofen, naproxen and phenyl acids substituted (SNO-ESTERS): Synthesis, infrared spectroscopy analysis and theoretical calculations

Reginato, Marcelo Mota, Paiva, Derisvaldo Rosa, Sensato, Fabrício Ronil, Monteiro, Hugo Pequeno, Reis, Adriana Karla Cardoso Amorim

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2019

Langue:

english

Fichier:

PDF, 2.07 MB

english, 2019