| 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 | 66 | 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 | 62 | 2011 |
| 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 | 58 | 2020 |
| 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 | 57 | 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 | 49 | 2014 |
| 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 | 46 | 2012 |
| 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 | 46 | 2009 |
| 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 | 38 | 2009 |
| Sarin degradation using brucite VS Vaiss, I Borges Jr, AA Leitao The Journal of Physical Chemistry C 115 (50), 24937-24944, 2011 | 35 | 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 | 35 | 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 | 34 | 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 | 31 | 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 | 30 | 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 | 28 | 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 | 26 | 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 | 26 | 1998 |
| 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 | 25 | 2018 |
| 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 | 24 | 2019 |
| 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 | 23 | 2009 |
| Forbidden transitions in benzene I Borges Jr, AJC Varandas, AB Rocha, CE Bielschowsky Journal of Molecular Structure: THEOCHEM 621 (1-2), 99-105, 2003 | 23 | 2003 |
Hans LischkaProfessor of Chemistry, Texas Tech UniversityVerified email at ttu.edu
