Itamar Borges Jr: search on Z-Library

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1

An ab initio study of the structure and methyl rotational barriers of methylphosphonic dihalides

Antônio C.P. Barbosa, Itamar Borges Jr., Whei Oh Lin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 204 KB

english, 2005

2

How to find an optimum cluster size through topological site properties: MoSxmodel clusters

Alexander M. Silva, Itamar Borges Jr.

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 926 KB

english, 2011

3

Configuration interaction and relaxation effects on generalized and optical oscillator strengths of the H2O molecule: The X1A1 → A1B1 transition

Tiago Giannerini, Itamar Borges Jr., Eduardo Hollauer

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2007

Language:

english

File:

PDF, 538 KB

english, 2007

4

Excited electronic and ionized states of N,N-dimethylnitramine

Itamar Borges Jr.

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 300 KB

english, 2008

5

The CH3POF2 molecule: ab initio studies of structure, vibrational spectrum and methyl rotational barrier

Antônio C.P. Barbosa, Itamar Borges Jr., Whei Oh Lin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 438 KB

english, 2004

6

Density functional theory molecular simulation of thiophene adsorption on MoS2 including microwave effects

Itamar Borges Jr., Alexander M. Silva, Alcino P. Aguiar, Luiz E.P. Borges, José Carlos A. Santos, Maurício H.C. Dias

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 833 KB

english, 2007

7

On the semiclassical dissociation yields of the doubly excited states of H2

Itamar Borges Jr., Carlos E. Bielschowsky

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 118 KB

english, 2001

8

Rate constants for the CH3O + NO → CH3ONO reaction by classical trajectory and canonical variational transition state theory calculations

Emilio Martínez-Núñez, Itamar Borges Jr, S. A. Vázquez

Journal:

Journal of Physical Organic Chemistry

Year:

2002

Language:

english

File:

PDF, 156 KB

english, 2002

9

DFT conformational studies of the HI-6 molecule

Gustavo R. Silva, Itamar Borges Jr., Jose D. Figueroa-Villar

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 274 KB

english, 2005

10

Conformations and charge distributions of diazocyclopropanes

Itamar Borges Jr.

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 545 KB

english, 2008

11

The electronically excited states of RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine): Vertical excitations

Itamar Borges Jr, Adélia J. A. Aquino, Mario Barbatti, Hans Lischka

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 245 KB

english, 2009

12

Nuclear fukui functions and the deformed atoms in molecules representation of the electron density: Application to gas-Phase RDX (hexahydro-1,3,5-trinitro-1,3,5- triazine) electronic structure and decomposition

Tatiana F. Moraes, Itamar Borges Jr

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 1.12 MB

english, 2011

13

Electronic spectra of nitroethylene

Itamar Borges Jr., Mario Barbatti, Adélia J.A. Aquino, Hans Lischka

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 451 KB

english, 2012

14

Configuration interaction oscillator strengths of the H2O molecule: Transitions from the ground to the and 11B2 excited states

Itamar Borges Jr.

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 156 KB

english, 2006

15

Theoretical investigations on valence vibronic transitions

Borges Jr., Itamar, Rocha, Alexandre B., Bielschowsky, Carlos Eduardo

Journal:

Brazilian Journal of Physics

Year:

2005

Language:

english

File:

PDF, 90 KB

english, 2005

16

Proton Migration on Perfect, Vacancy and Doped MgO(001) Surfaces: Role of Dissociation Residual Groups

Alvim, Raphael da Silva, Borges Jr., Itamar, Leitão, Alexandre Amaral

Journal:

The Journal of Physical Chemistry C

Year:

2018

Language:

english

File:

PDF, 4.08 MB

english, 2018

17

Probing topological electronic effects in catalysis: thiophene adsorption on NiMoS and CoMoS clusters

Borges Jr., Itamar, Silva, Alexander M.

Journal:

Journal of the Brazilian Chemical Society

Year:

2012

Language:

english

File:

PDF, 878 KB

english, 2012

18

Defesa química: histórico, classificação dos agentes de guerra e ação dos neurotóxicos

Silva, Gustavo Rocha, Borges Jr., Itamar, Figueroa-Villar, José Daniel, Castro, Alexandre Taschetto de

Journal:

Year:

2012

File:

PDF, 451 KB

2012