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Carol A. Parish - Publications

Affiliations: 
Purdue University, West Lafayette, IN, United States 
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33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2025 Pandian J, Vu K, Muya JT, Parker A, Ancajas CMF, Saldana-Greco D, Yewer T, Parish C. A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals. Journal of Computational Chemistry. 46: e70044. PMID 39853579 DOI: 10.1002/jcc.70044  0.326
2024 Chen Z, Mendoza-Gomez S, Azar-Tanguay JE, Ancajas CMF, Sirianni DA, Parish CA. A spin-flip study of the diradical isomers of pyrrole, furan, and thiophene. The Journal of Chemical Physics. 161. PMID 39412053 DOI: 10.1063/5.0233736  0.686
2023 Sirianni DA, Song X, Wairegi S, Wang EB, Mendoza-Gomez SA, Luxon A, Zimmerley M, Nussdorf A, Filatov M, Hoffmann R, Parish CA. Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes. Journal of the American Chemical Society. 145: 21408-21418. PMID 37747784 DOI: 10.1021/jacs.3c06691  0.682
2020 Lischka H, Shepard R, Müller T, Szalay PG, Pitzer RM, Aquino AJA, Araújo do Nascimento MM, Barbatti M, Belcher LT, Blaudeau JP, Borges I, Brozell SR, Carter EA, Das A, Gidofalvi G, ... ... Parish CA, et al. The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. The Journal of Chemical Physics. 152: 134110. PMID 32268762 DOI: 10.1063/1.5144267  0.429
2019 Scott T, Nieman R, Luxon A, Zhang B, Lischka H, Gagliardi L, Parish CA. A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine. The Journal of Physical Chemistry. A. PMID 30779575 DOI: 10.1021/Acs.Jpca.8B12440  0.412
2019 Jaini A, Hughes L, Kitimet M, Ulep KJ, Leopold MC, Parish CA. Halogen Bonding Interactions for Aromatic and Non-Aromatic Explosive Detection. Acs Sensors. PMID 30672707 DOI: 10.1021/Acssensors.8B01246  0.36
2018 Hu H, Zhang B, Luxon A, Scott T, Wang B, Parish CA. An Extended Multireference Study of the Singlet and Triplet States of the 9,10-didehydroanthracene Diradical. The Journal of Physical Chemistry. A. PMID 29558134 DOI: 10.1021/Acs.Jpca.8B01233  0.336
2018 Esseffar M, Parish CA, Jalal R, Lamsabhi AM. 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. PMID 29485881 DOI: 10.1021/Acs.Jpca.8B00251  0.432
2017 Luxon AR, Orms N, Kanters RPF, Krylov AI, Parish CA. An Ab Initio Exploration of the Bergman Cyclization. The Journal of Physical Chemistry. A. PMID 29227675 DOI: 10.1021/Acs.Jpca.7B10576  0.424
2017 Beane A, Miller BR, Parish CA. Internal abstraction of dynemicin A: An MD approach. Journal of Molecular Graphics & Modelling. 74: 251-264. PMID 28458004 DOI: 10.1016/J.Jmgm.2017.03.012  0.33
2015 Tshishimbi Muya J, Ceulemans A, Gopakumar G, Parish CA. Jahn-Teller distortion in polyoligomeric silsesquioxane (POSS) cations. The Journal of Physical Chemistry. A. 119: 4237-43. PMID 25831095 DOI: 10.1021/Acs.Jpca.5B01787  0.321
2012 Song X, Fanelli MG, Cook JM, Bai F, Parish CA. Mechanisms for the reaction of thiophene and methylthiophene with singlet and triplet molecular oxygen. The Journal of Physical Chemistry. A. 116: 4934-46. PMID 22515263 DOI: 10.1021/Jp301919G  0.387
2012 Parker AJ, Stewart J, Donald KJ, Parish CA. Halogen bonding in DNA base pairs. Journal of the American Chemical Society. 134: 5165-72. PMID 22364257 DOI: 10.1021/Ja2105027  0.345
2011 Song X, Parish CA. A mechanistic study of the 2-thienylmethyl + HO2 radical recombination reaction. The Journal of Physical Chemistry. A. 115: 14546-57. PMID 22054057 DOI: 10.1021/Jp209656D  0.358
2011 Song X, Parish CA. Pyrolysis mechanisms of thiophene and methylthiophene in asphaltenes. The Journal of Physical Chemistry. A. 115: 2882-91. PMID 21410188 DOI: 10.1021/Jp1118458  0.312
2010 Wang EB, Parish CA. Conformational analysis of a model for the trans-fused FGH ether rings in brevetoxin A. The Journal of Organic Chemistry. 75: 1582-8. PMID 20136065 DOI: 10.1021/Jo902558H  0.349
2009 Remmert S, Hollis H, Parish CA. Conformational analysis of trimeric maleimide substituted 1,5,9-triazacyclododecane HIV fusion scaffolds Bioorganic and Medicinal Chemistry. 17: 1251-1258. PMID 19135378 DOI: 10.1016/J.Bmc.2008.12.027  0.375
2009 Remmert S, Parish C. Energetic analyses of chair and boat conformations of maleimide substituted cyclohexane derivatives. Journal of Computational Chemistry. 30: 992-998. PMID 18825691 DOI: 10.1002/Jcc.21125  0.367
2008 Wang EB, Parish CA, Lischka H. An extended multireference study of the electronic states of para-benzyne. The Journal of Chemical Physics. 129: 044306. PMID 18681645 DOI: 10.1063/1.2955744  0.34
2008 Lauer MG, Leslie JW, Mynar A, Stamper SA, Martinez AD, Bray AJ, Negassi S, McDonald K, Ferraris E, Muzny A, McAvoy S, Miller CP, Walters KA, Russell KC, Wang E, ... ... Parish C, et al. Synthesis, spectroscopy, and theoretical calculations for a series of push-pull [14]-pyridoannulenes. The Journal of Organic Chemistry. 73: 474-84. PMID 18085794 DOI: 10.1021/Jo7019724  0.331
2007 Szczepanska A, Espartero JL, Moreno-Vargas AJ, Carmona AT, Robina I, Remmert S, Parish C. Synthesis and conformational analysis of novel trimeric maleimide cross-linking reagents Journal of Organic Chemistry. 72: 6776-6785. PMID 17676908 DOI: 10.1021/Jo0709293  0.405
2007 Brzostowska EM, Hoffmann R, Parish CA. Tuning the Bergman cyclization by introduction of metal fragments at various positions of the enediyne. Metalla-Bergman cyclizations. Journal of the American Chemical Society. 129: 4401-9. PMID 17373798 DOI: 10.1021/Ja068884V  0.333
2005 Hillson SD, Smith E, Zeldin M, Parish CA. Cages, baskets, ladders, and tubes: conformational studies of polyhedral oligomeric silsesquioxanes. The Journal of Physical Chemistry. A. 109: 8371-8. PMID 16834229 DOI: 10.1021/Jp052949J  0.394
2004 Macaluso M, Parish CA, Hoffmann R, Scott LT. Dicyclobuta[de,ij]naphthalene and dicyclopenta[cd,gh]pentalene: a theoretical study. The Journal of Organic Chemistry. 69: 8093-100. PMID 15527295 DOI: 10.1021/Jo0486488  0.391
2004 Parish CA, Yarger M, Sinclair K, Dure M, Goldberg A. Comparing the conformational behavior of a series of diastereomeric cyclic urea HIV-1 inhibitors using the low mode:monte carlo conformational search method. Journal of Medicinal Chemistry. 47: 4838-50. PMID 15369387 DOI: 10.1021/Jm049716L  0.331
2004 Castillo H, Yarger M, Rappleye M, Parish C. A comparison of the AMBER*, OPLSAA and HF potential energy surfaces for a series of diastereomeric cyclic urea HIV-1 inhibitors Journal of Molecular Structure-Theochem. 710: 73-76. DOI: 10.1016/J.Theochem.2004.09.004  0.316
2003 Parish CA, Zeldin M, Hilson S, Pratt J. Conformational analysis of siloxane‐based enzyme‐mimic precursors[1] Macromolecular Symposia. 196: 327-336. DOI: 10.1002/Masy.200390171  0.364
2002 Parish CA, Zeldin M, Pratt J. Conformational Analysis and Modeling Studies of Synthetic 4-Dialkylaminopyridine-Siloxane Oligomers with Selective Esterase Activity Journal of Inorganic and Organometallic Polymers and Materials. 12: 31-47. DOI: 10.1023/A:1021298014393  0.374
1994 Parish CA, Dykstra CE. Three-body analytical potential for interacting helium atoms The Journal of Chemical Physics. 101: 7616-7624. DOI: 10.1063/1.468255  0.54
1993 Parish CA, Dykstra CE. Pairwise and many‐body contributions to interaction potentials in Hen clusters The Journal of Chemical Physics. 98: 437-443. DOI: 10.1063/1.464637  0.574
1993 Parish CA, Dykstra CE. Partially coupled electrical model of vibrational frequency shifts in weak atom-diatomic and diatomic-diatomic complexes Journal of Physical Chemistry. 97: 9374-9379. DOI: 10.1021/J100139A020  0.552
1992 Parish CA, Augspurger JD, Dykstra CE. Weakly bound complexes of carbon monoxide Journal of Physical Chemistry. 96: 2069-2079. DOI: 10.1021/J100184A011  0.567
1988 Lipkowitz KB, Demeter DA, Landwer JM, Parish CA, Darden T. Explorations on the multidimensional potential energy surface of a chiral stationary phase Journal of Computational Chemistry. 9: 63-66. DOI: 10.1002/Jcc.540090108  0.34
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