| The performance of explicitly correlated wavefunctions [CCSD (T)-F12b] in the computation of anharmonic vibrational frequencies D Agbaglo, RC Fortenberry Chemical Physics Letters 734, 136720, 2019 | 55 | 2019 |
| A small molecule with PAH vibrational properties and a detectable rotational spectrum: c-(C) C3H2, cyclopropenylidenyl carbene D Agbaglo, TJ Lee, R Thackston, RC Fortenberry The Astrophysical Journal 871 (2), 236, 2019 | 48 | 2019 |
| The performance of CCSD (T)-F12/aug-cc-pVTZ for the computation of anharmonic fundamental vibrational frequencies D Agbaglo, RC Fortenberry Int. J. Quantum Chem 119, e25899, 2019 | 44 | 2019 |
| The performance of explicitly correlated methods for the computation of anharmonic vibrational frequencies D Agbaglo, RC Fortenberry International Journal of Quantum Chemistry 119 (11), e25899, 2019 | 12 | 2019 |
| Theoretical Rovibrational Spectroscopy of Magnesium Tricarbide–Multireference Character Thwarts a Full Analysis of All Isomers DA Agbaglo, Q Cheng, RC Fortenberry, JF Stanton, NJ DeYonker The Journal of Physical Chemistry A 126 (26), 4132-4146, 2022 | 9 | 2022 |
| The influence of model building schemes and molecular dynamics sampling on QM-cluster models: the chorismate mutase case study DA Agbaglo, TJ Summers, Q Cheng, NJ DeYonker Physical Chemistry Chemical Physics 26 (16), 12467-12482, 2024 | 4 | 2024 |
| Evaluating the active site-substrate interplay between x-ray crystal structure and molecular dynamics in chorismate mutase TJ Summers, R Hemmati, JE Miller, DA Agbaglo, Q Cheng, NJ DeYonker The Journal of Chemical Physics 158 (6), 2023 | 2 | 2023 |
| Quantum Chemical Rovibrational Characterization of CH2ClH+, a Low-Energy Isomer of Ionized Chloromethane D Agbaglo, RC Fortenberry ACS Earth and Space Chemistry 3 (7), 1296-1301, 2019 | 2 | 2019 |
| Navigating the Size Extremes of Quantum Chemistry: Rovibrational Spectroscopy of Metal Carbides and Cluster Modeling of Enzymes DA Agbaglo | | 2024 |
| The Performance of Explicitly Correlated Wavefunction for the Computation of Anharmonic Vibrational Frequencies DA Agbaglo | | 2019 |
