Itamar Borges Jr.
Itamar Borges Jr.
Professor of Physical-Chemistry and Physics, Military Institute of Engineering (IME)
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Ab Initio Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System
I Borges Jr, AJA Aquino, A Köhn, R Nieman, WL Hase, LX Chen, ...
Journal of the American Chemical Society 135 (49), 18252-18255, 2013
Topological analysis of the molecular charge density and impact sensitivy models of energetic molecules
G Anders, I Borges Jr
The Journal of Physical Chemistry A 115 (32), 9055-9068, 2011
Density-functional theory simulation of the dissociative chemisorption of water molecules on the MgO (001) surface
RS Alvim, I Borges Jr, DG Costa, AA Leitao
The Journal of Physical Chemistry C 116 (1), 738-744, 2012
Intermolecular interactions and charge transfer transitions in aromatic hydrocarbon–tetracyanoethylene complexes
AAJ Aquino, I Borges, R Nieman, A Koehn, H Lischka
Physical Chemistry Chemical Physics 16 (38), 20586-20597, 2014
Theoretical Study of the Reaction between HF Molecules and Hydroxyl Layers of Mg(OH)2
VS Vaiss, RA Berg, AR Ferreira, I Borges Jr, AA Leitão
The Journal of Physical Chemistry A 113 (23), 6494-6499, 2009
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
H Lischka, R Shepard, T Müller, PG Szalay, RM Pitzer, AJA Aquino, ...
The journal of chemical physics 152 (13), 2020
Defesa química: histórico, classificação dos agentes de guerra e ação dos neurotóxicos
GR Silva, I Borges Jr, JD Figueroa-Villar, AT Castro
Química Nova 35, 2083-2091, 2012
The electronically excited states of RDX (hexahydro‐1, 3, 5‐trinitro‐1, 3, 5‐triazine): Vertical excitations
I Borges, AJA Aquino, M Barbatti, H Lischka
International Journal of Quantum Chemistry 109 (11), 2348-2355, 2009
Sarin degradation using brucite
VS Vaiss, I Borges Jr, AA Leitao
The Journal of Physical Chemistry C 115 (50), 24937-24944, 2011
Density functional theory molecular simulation of thiophene adsorption on MoS2 including microwave effects
I Borges Jr, AM Silva, AP Aguiar, LEP Borges, JCA Santos, MHC Dias
Journal of Molecular Structure: THEOCHEM 822 (1-3), 80-88, 2007
Dynamics of benzene excimer formation from the parallel-displaced dimer
TM Cardozo, AP Galliez, I Borges, F Plasser, AJA Aquino, M Barbatti, ...
Physical Chemistry Chemical Physics 21 (26), 13916-13924, 2019
Insight into the excited state electronic and structural properties of the organic photovoltaic donor polymer poly (thieno [3, 4-b] thiophene benzodithiophene) by means of ab …
I Borges Jr, E Uhl, L Modesto-Costa, AJA Aquino, H Lischka
The Journal of Physical Chemistry C 120 (38), 21818-21826, 2016
Absorption and Fluorescence Spectra of Poly(p-phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation
TM Cardozo, AJA Aquino, M Barbatti, I Borges Jr, H Lischka
The Journal of Physical Chemistry A 119 (9), 1787-1795, 2015
Potential Energy Curves for X1Sigma+ and A1Pi States of CO: The A1Pi (v= 1-23) X1Sigma+ (v= 0, 1) Transitions
I Borges, P Caridade, AJC Varandas
Journal of Molecular Spectroscopy 209 (1), 24-29, 2001
Doubly excited states of molecular hydrogen: theoretical absorption and photodissociation cross sections
I Borges Jr, CE Bielschowsky
Journal of Physics B: Atomic, Molecular and Optical Physics 33 (9), 1713, 2000
Optical and generalized oscillator strengths for the B 1 Σ+, C 1 Σ+, and E 1 Π vibronic bands in the CO molecule
AB Rocha, I Borges, CE Bielschowsky
Physical Review A 57 (6), 4394, 1998
Using the coaxial probe method for permittivity measurements of liquids at high temperatures
JCA Santos, MHC Dias, AP Aguiar, I Borges Jr, LEP Borges
Journal of Microwaves, Optoelectronics and Electromagnetic Applications …, 2009
Chemical dynamics simulations of CID of peptide ions: comparisons between TIK (H+) 2 and TLK (H+) 2 fragmentation dynamics, and with thermal simulations
Z Homayoon, V Macaluso, A Martin-Somer, MCNB Muniz, I Borges, ...
Physical Chemistry Chemical Physics 20 (5), 3614-3629, 2018
Forbidden transitions in benzene
I Borges Jr, AJC Varandas, AB Rocha, CE Bielschowsky
Journal of Molecular Structure: THEOCHEM 621 (1-2), 99-105, 2003
Correlation between molecular charge densities and sensitivity of nitrogen-rich heterocyclic nitroazole derivative explosives
RSS de Oliveira, I Borges Jr
Journal of Molecular Modeling 25 (10), 314, 2019
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