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1

Ab initio study of the structures, energetics, and bonding of the isomers beryllium imide (BeNH) and beryllium hydride nitride (HBeN)

Roberto-Neto, Orlando, Ornellas, Fernando R.

Journal:

Journal of Physical Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 840 KB

english, 1994

2

Effect of pesticides application on peanut (Arachis hypogaea L.) associated phosphate solubilizing soil bacteria

Anzuay, María Soledad, Frola, Ornella, Angelini, Jorge Guillermo, Ludueña, Liliana Mercedes, Ibañez, Fernando, Fabra, Adriana, Taurian, Tania

Journal:

Applied Soil Ecology

Année:

2015

Langue:

english

Fichier:

PDF, 960 KB

english, 2015

3

The search for a potentially new molecular species, SiAs: A theoretical contribution

Batista, Ana Paula de Lima, Ornellas, Fernando R.

Journal:

Molecular Physics

Année:

2012

Langue:

english

Fichier:

PDF, 436 KB

english, 2012

4

Plasmonic Nanorattles as Next-Generation Catalysts for Surface Plasmon Resonance-Mediated Oxidations Promoted by Activated Oxygen

da Silva, Anderson G. M., Rodrigues, Thenner S., Correia, Valquírio G., Alves, Tiago V., Alves, Rafael S., Ando, Rômulo A., Ornellas, Fernando R., Wang, Jiale, Andrade, Leandro H., Camargo, Pedro H. C

Journal:

Angewandte Chemie

Année:

2016

Langue:

english

Fichier:

PDF, 2.75 MB

english, 2016

5

Transition moments, radiative transition probabilities, and radiative lifetimes for the band systems A 2 Π–X 2 Σ + , B 2 Σ + –X 2 Σ + , and A 2 Π–A´ 2 Δ of scandium monosulfide, ScS

Romeu, João Gabriel Farias, Belinassi, Antonio Ricardo, Ornellas, Fernando R.

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Année:

2018

Langue:

english

Fichier:

PDF, 1.27 MB

english, 2018

6

Nuclear motion dependence of the electric field gradient at the 9Be nucleus in BeH+

Antonio C. Borin, Francisco B.C. Machado, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

1992

Langue:

english

Fichier:

PDF, 409 KB

english, 1992

7

An ab initio study of the transition moments, transition probabilities, and radiative lifetimes of the quartet states of the BeN molecule

Orlando Roberto-Neto, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

1994

Langue:

english

Fichier:

PDF, 528 KB

english, 1994

8

A theoretical description of the ion BeC+ and the photoelectron spectrum of BeC

Antonio Carlos Borin, Fernando R. Ornellas

Journal:

Chemical Physics

Année:

1994

Langue:

english

Fichier:

PDF, 698 KB

english, 1994

9

Excited doublet and quartet states of SiP: a high level theoretical investigation

Levi G dos Santos, Fernando R Ornellas

Journal:

Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 289 KB

english, 2003

10

Transition state structure, energetics, and rate constants for the CH4 + F(2P) → CH3 + HF reaction

Orlando Roberto-Neto, Francisco B.C. Machado, Fernando R. Ornellas

Journal:

Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 159 KB

english, 2005

11

Thiothionyl bromide (SSBr2): The elusive isomer of dibromodisulfane (BrSSBr)

Fernando R. Ornellas

Journal:

Chemical Physics

Année:

2008

Langue:

english

Fichier:

PDF, 129 KB

english, 2008

12

Radiative transition probabilities and lifetimes for the band systems (1) 3Π–X 3Σ− and (2) 3Σ−–X 3Σ− of the isovalent molecules BeC, MgC, and CaC

Marina Pelegrini, Orlando Roberto-Neto, Fernando R Ornellas, Francisco B.C Machado

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 241 KB

english, 2004

13

The low-lying electronic states of PCl

Artur G. da Silva-Neto, Orlando Roberto-Neto, Fernando R. Ornellas, Francisco B.C. Machado

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 416 KB

english, 2004

14

Dual-level direct dynamics calculations of kinetic isotope effects for the CH4 + F → CH3 + HF abstraction reaction

Orlando Roberto-Neto, Francisco B.C. Machado, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 126 KB

english, 2005

15

Transition probabilities and spectroscopic properties of the low-lying states of GeC molecule

Leonardo T. Ueno, L.R. Marim, A. Dal Pino Jr., Fernando R. Ornellas, Francisco B.C. Machado

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 293 KB

english, 2006

16

Energetic, structural, and kinetic characterization of the hydrogen abstraction reaction N(4S) + CH4 → NH(X3Σ−) + CH3

Orlando Roberto-Neto, Fernando R. Ornellas, Francisco B.C. Machado

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 198 KB

english, 2006

17

Isomers on the [S2, F2] potential energy surface: Straightening out experimental and theoretical findings using a high-level theoretical approach

Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 140 KB

english, 2007

18

The reaction of methyl radical with nitrogen atom on the triplet potential energy surface: A CCSD(T)/CBS characterization

Tiago Vinicius Alves, Antonio Gustavo S. de Oliveira Filho, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 273 KB

english, 2008

19

Predicting new molecular species of potential interest to atmospheric chemistry: The isomers HSI and HIS

Willian Hermoso, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 196 KB

english, 2008

20

Excited states of the CaAl molecule: An MRCI study

Vladir W. Ribas, Orlando Roberto-Neto, Fernando R. Ornellas, Francisco B.C. Machado

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 524 KB

english, 2008

21

Spin contamination in XOO radicals X = F, Cl, Br, HO: How is the investigation of the HOOO radical affected

Pablo A. Denis, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2008

Langue:

english

Fichier:

PDF, 181 KB

english, 2008

22

Exploring new molecular species on the 1[H, Se, F] singlet potential energy surface: Energetics, structures, IR spectra, and heats of formation

Willian Hermoso, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 238 KB

english, 2009

23

Isomers on the [H, S2, Cl] potential energy surface: A high level investigation

Yuri Alexandre Aoto, Antonio Gustavo S. de Oliveira-Filho, Fernando R. Ornellas

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2009

Langue:

english

Fichier:

PDF, 254 KB

english, 2009

24

Atmospheric reaction between the HS radical and chlorine

Stella M Resende, Fernando R Ornellas

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 104 KB

english, 2000

25

Theoretical spectroscopic characterization of the B2Σ+ state of SiP and of the X2Π–B2Σ+ and A2Σ+–B2Σ+ transitions

Fernando R Ornellas

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 118 KB

english, 2001

26

Does SH really react with O3 in the ground state?

Stella M. Resende, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 246 KB

english, 2001

27

Thermochemistry of atmospheric sulfur compounds

Stella M Resende, Fernando R Ornellas

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 91 KB

english, 2003

28

The lowest triplet and singlet electronic states of the molecule SO

Antonio Carlos Borin, Fernando R. Ornellas

Journal:

Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 258 KB

english, 1999

29

A CASSCF/MRCI study of the low-lying electronic states of the BeS molecule

Antonio G. S. De Oliveira-Filho, Tiago V. Alves, Vladir W. Ribas, Luiz F. A. Ferrão, Orlando Roberto-Neto, Francisco B. C. Machado, Fernando R. Ornellas

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 316 KB

english, 2011

30

An environmental investigation of a marine coastal area: Gulf of Gaeta (Tyrrhenian Sea)

Ornella Ferretti, Ilaria Niccolai, Carlo Nike Bianchil, Sergio Tucci, Carla Morri, Fernando Veniale

Journal:

Année:

1989

Langue:

english

Fichier:

PDF, 1.53 MB

english, 1989

31

Biochemical and biological activity of the anthracycline analog, 4-demethyl-6-0-methyl-doxorubicin

Franco Zunino, Brunella Barbieri, Ornella Bellini, Anna Maria Casazza, Cristina Geroni, Fernando Giuliani, Antonio Ciana, Giorgio Manzini, Franco Quadrifoglio

Journal:

Investigational New Drugs

Année:

1986

Langue:

english

Fichier:

PDF, 535 KB

english, 1986

32

In vitroactivity of 4′ -iodo-4′ -deoxydoxorubicin on human colo-rectal cancer as measured by a short-term antimetabolic assay

Raffaella Villa, Nadia Zaffaroni, Fernando Giuliani, Giovanni Colella, Ornella Sanfilippo, Rosella Silvestrini

Journal:

Investigational New Drugs

Année:

1990

Langue:

english

Fichier:

PDF, 134 KB

english, 1990

33

Configuration interaction: Molecular orbitals for accurate calculations on diatomics

Fernando Rei Ornellas, Stanley Hagstrom

Journal:

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

Année:

1982

Langue:

english

Fichier:

PDF, 316 KB

english, 1982

34

Anab initiostudy of the molecules P2O and P2O+

Fernando R. Ornellas, Adélia J. A. Aquino

Journal:

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

Année:

1991

Langue:

english

Fichier:

PDF, 565 KB

english, 1991

35

The low-lying electronic states of BeAs: a first principles characterization

Tiago Vinicius Alves, Willian Hermoso, Fernando R. Ornellas

Journal:

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

Année:

2010

Langue:

english

Fichier:

PDF, 313 KB

english, 2010

36

Theoretical chemistry: current applications to photochemistry and thermochemistry

Fernando R. Ornellas

Journal:

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

Année:

2012

Langue:

english

Fichier:

PDF, 114 KB

english, 2012

37

Energetics, structures, bonding, and kinetics of the HSCl–HClS system

Fernando R. Ornellas

Journal:

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

Année:

2000

Langue:

english

Fichier:

PDF, 187 KB

english, 2000

38

A theoretical study of the transition moments, Einstein A coefficients, and radiative lifetimes of the lowest triplet states of BeC

Antonio Carlos Borin, Fernando R. Ornellas

Journal:

Chemical Physics

Année:

1995

Langue:

english

Fichier:

PDF, 705 KB

english, 1995

39

The effect of constraints on the initial steps of adsorption of nitrogen atoms on the silicon surface as modeled by the cluster [Si9H12 + N]

Leonardo T. Ueno, Francisco B.C. Machado, Fernando R. Ornellas

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 504 KB

english, 2006

40

Predicting and characterizing new molecular species at a high-level theoretical approach: HSeCl, HClSe, and SeCl

Willian Hermoso, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2010

Langue:

english

Fichier:

PDF, 251 KB

english, 2010

41

Electronic structure and spectra of a new molecular species: SI. A theoretical contribution

Antonio Gustavo S. de Oliveira Filho, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 443 KB

english, 2011

42

A theoretical investigation of the A 3Π–X 3Σ− transition in SO

Antonio Carlos Borin, Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 149 KB

english, 2000

43

Transition moment function, transition probabilities, and radiative lifetimes in the A 1Π–X 1Σ+ system of the CS molecule

Fernando R. Ornellas

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 175 KB

english, 1998

44

A theoretical study of the electronic structure and spectroscopic properties of the low-lying electronic states of the molecule AlSi

Fernando R. Ornellas, Suehiro Iwata

Journal:

Chemical Physics

Année:

1998

Langue:

english

Fichier:

PDF, 373 KB

english, 1998

45

Heart transplantation in infants with idiopathic hypertrophic cardiomyopathy

Luca Ragni, Elena Biagini, Fernando M. Picchio, Daniela Prandstraller, Ornella Leone, Alessandra Berardini, Antonella Perolo, Francesco Grigioni, Lara Di Diodoro, Gaetano Gargiulo, Eloisa Arbustini, C

Journal:

Pediatric Transplantation

Année:

2009

Langue:

english

Fichier:

PDF, 268 KB

english, 2009

46

Exploring new species on the [H, S, Se, Cl] potential energy surface

Willian Hermoso, Naziah B. Jaufeerally, Ponnadurai Ramasami, Fernando R. Ornellas

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 1012 KB

english, 2012

47

Theoretical transition probabilities and lifetimes for the BeH+ (A1∑+-X1∑+) band system

Francisco B.C. Machado, Fernando R. Ornellas

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1990

Langue:

english

Fichier:

PDF, 462 KB

english, 1990

48

Editorial

Yves G. Smeyers, Fernando R. Ornellas, W.J. Orville-Thomas

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1993

Langue:

english

Fichier:

PDF, 75 KB

english, 1993

49

A theoretical study of the transition probabilities, radiative lifetimes and infrared spectrum of the molecule BeC in its ground state, X3Σ−

Antonio Carlos Borin, Fernando R. Ornellas

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1995

Langue:

english

Fichier:

PDF, 469 KB

english, 1995

50

Different Types of Cardiomyopathy Associated With Isolated Ventricular Noncompaction

Elena Biagini, Luca Ragni, Marinella Ferlito, Ferdinando Pasquale, Carla Lofiego, Ornella Leone, Guido Rocchi, Enrica Perugini, Silvia Zagnoni, Angelo Branzi, Fernando M. Picchio, Claudio Rapezzi

Journal:

The American Journal of Cardiology

Année:

2006

Langue:

english

Fichier:

PDF, 3.18 MB

english, 2006