| The local vibrational mode theory and its place in the vibrational spectroscopy arena E Kraka, M Quintano, HW La Force, JJ Antonio, M Freindorf The Journal of Physical Chemistry A 126 (47), 8781-8798, 2022 | 39 | 2022 |
| Featuring a new computational protocol for the estimation of intensity and overall quantum yield in lanthanide chelates with applications to Eu (III) mercapto-triazole Schiff … RT Moura Jr, M Quintano, CV Santos-Jr, VACA Albuquerque, EC Aguiar, ... Optical Materials: X 16, 100216, 2022 | 18 | 2022 |
| Automatic generation of local vibrational mode parameters: from small to large molecules and QM/MM systems RT Moura Jr, M Quintano, JJ Antonio, M Freindorf, E Kraka The Journal of Physical Chemistry A 126 (49), 9313-9331, 2022 | 12 | 2022 |
| Local mode analysis of characteristic vibrational coupling in nucleobases and Watson–Crick base pairs of DNA M Quintano, AAA Delgado, RT Moura Jr, M Freindorf, E Kraka Electronic Structure 4 (4), 044005, 2022 | 11 | 2022 |
| Theoretical insights into the linear relationship between pKa values and vibrational frequencies M Quintano, E Kraka Chemical Physics Letters 803, 139746, 2022 | 11 | 2022 |
| The pKa rule in light of local mode force constants M Quintano, RT Moura Jr, E Kraka Chemical Physics Letters 826, 140654, 2023 | 7 | 2023 |
| Revisiting the tropospheric OH-initiated unimolecular decomposition of chlorpyrifos and chlorpyrifos-methyl: A theoretical perspective MM Quintano, GLS Rodrigues, MA Chagas, WR Rocha The Journal of Physical Chemistry A 124 (21), 4280-4289, 2020 | 3 | 2020 |
| LModeA2023 W Zou, R Moura Jr., M Quintano, F Bodo, Y Tao, M Freindorf, MZ Makoś, ... Computational and Theoretical Chemistry Group (CATCO), Southern Methodist …, 2023 | 2* | 2023 |
| Electronic Entropy as a Periodic Property of the Elements: A Theoretical Chemistry Approach MM Quintano, MX Silva, JC Belchior, JP Braga Journal of Chemical Education 98 (8), 2574-2577, 2021 | 2 | 2021 |
| Exploring Jahn-Teller distortions: a local vibrational mode perspective M Quintano, RT Moura Jr, E Kraka Journal of Molecular Modeling 30 (4), 102, 2024 | 1 | 2024 |
| Local vibrational mode theory meets graph theory: Complete and non-redundant local mode sets M Quintano, RT Moura Jr, E Kraka Chemical Physics Letters, 141416, 2024 | | 2024 |
| Computational insights into the reactivity of chlorpyrifos and chlorpyrifos-methyl toward singlet oxygen MM Quintano, WR Rocha Journal of Molecular Modeling 27, 1-8, 2021 | | 2021 |
| Theoretical investigation of the OH-initiated atmospheric decomposition of chlorpyrifos and chlorpyrifos-methyl MM Quintano Universidade Federal de Minas Gerais, 2020 | | 2020 |
| Supporting Information: Automatic Generation of Local Vibrational Mode Parameters: From Small to Large Molecules and QM/MM Systems RT Moura Jr, M Quintano, JJ Antonio, M Freindorf, E Kraka | | |
Renaldo T Moura JrVisiting Professor - Southern Methodist University/USA ; Assistant Professor - UFPB/BR在 cca.ufpb.br 的电子邮件经过验证
