| 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 | 57 | 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 | 20 | 2022 |
| Noncovalent π Interactions in Mutated Aquomet-Myoglobin Proteins: A QM/MM and Local Vibrational Mode Study JJ Antonio, E Kraka Biochemistry 62 (15), 2325-2337, 2023 | 10 | 2023 |
| Ortho-Fluoro Effect on the C–C Bond Activation of Benzonitrile Using Zerovalent Nickel S Lachaize, DC Gallegos, JJ Antonio, AC Atesin, TA Ateşin, WD Jones Organometallics 42 (15), 2134-2147, 2023 | 7 | 2023 |
| Hydrogen Sulfide Ligation in Hemoglobin I of Lucina pectinata─A QM/MM and Local Mode Study M Freindorf, J Antonio, E Kraka The Journal of Physical Chemistry A 127 (40), 8316-8329, 2023 | 6 | 2023 |
| Iron–histidine bonding in bishistidyl hemoproteins–A local vibrational mode study M Freindorf, JJ Antonio, E Kraka Journal of Computational Chemistry 45 (9), 574-588, 2024 | 4 | 2024 |
| Reaction mechanism–explored with the unified reaction valley approach E Kraka, JJ Antonio, M Freindorf Chemical Communications 59 (47), 7151-7165, 2023 | 3 | 2023 |
| Metal–ring interactions in group 2 ansa-metallocenes: assessed with the local vibrational mode theory JJ Antonio, E Kraka Physical Chemistry Chemical Physics, 2024 | 2 | 2024 |
| DFT Investigation of para-substituent effects on the C—C bond activation of benzonitrile by a zerovalent nickel complex J Rodriguez, J Rodriguez, AC Atesin, WD Jones, TA Ateşin | | 2021 |