Carol A. Parish
Affiliations: | Purdue University, West Lafayette, IN, United States |
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Parents
Sign in to add mentor| Clifford E. Dykstra | grad student | 1994 | Purdue | |
| (The nature of vibrational frequency shifts in weakly bound molecular clusters.) | ||||
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Publications
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| Pandian J, Vu K, Muya JT, et al. (2025) A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals. Journal of Computational Chemistry. 46: e70044 |
| Chen Z, Mendoza-Gomez S, Azar-Tanguay JE, et al. (2024) A spin-flip study of the diradical isomers of pyrrole, furan, and thiophene. The Journal of Chemical Physics. 161 |
| Sirianni DA, Song X, Wairegi S, et al. (2023) Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes. Journal of the American Chemical Society. 145: 21408-21418 |
| Lischka H, Shepard R, Müller T, et al. (2020) The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. The Journal of Chemical Physics. 152: 134110 |
| Scott T, Nieman R, Luxon A, et al. (2019) A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine. The Journal of Physical Chemistry. A |
| Jaini A, Hughes L, Kitimet M, et al. (2019) Halogen Bonding Interactions for Aromatic and Non-Aromatic Explosive Detection. Acs Sensors |
| Hu H, Zhang B, Luxon A, et al. (2018) An Extended Multireference Study of the Singlet and Triplet States of the 9,10-didehydroanthracene Diradical. The Journal of Physical Chemistry. A |
| Esseffar M, Parish CA, Jalal R, et al. (2018) A Computational Study of the Reactivity of 3,5-(Oxo/Thioxo) Derivatives of 2,7-Dimethyl-1,2,4-Triazepines. Keto-Enol Tautomerization and Potential for Hydrogen Storage. The Journal of Physical Chemistry. A |
| Luxon AR, Orms N, Kanters RPF, et al. (2017) An Ab Initio Exploration of the Bergman Cyclization. The Journal of Physical Chemistry. A |
| Beane A, Miller BR, Parish CA. (2017) Internal abstraction of dynemicin A: An MD approach. Journal of Molecular Graphics & Modelling. 74: 251-264 |