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Recent developments in the general atomic and molecular electronic structure system.
Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, Li H, Li W, Lutz JJ, Magoulas I, Mato J, Mironov V, Nakata H, Pham BQ, Piecuch P, Poole D, Pruitt SR, Rendell AP, Roskop LB, Ruedenberg K, Sattasathuchana T, Schmidt MW, Shen J, Slipchenko L, Sosonkina M, Sundriyal V, Tiwari A, Galvez Vallejo JL, Westheimer B, Włoch M, Xu P, Zahariev F, Gordon MS. Barca GMJ, et al. Among authors: harville t. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259
Intramolecular hydrogen bonding analysis.
Harville T, Gordon MS. Harville T, et al. J Chem Phys. 2022 May 7;156(17):174302. doi: 10.1063/5.0090648. J Chem Phys. 2022. PMID: 35525666
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.
Zahariev F, Xu P, Westheimer BM, Webb S, Galvez Vallejo J, Tiwari A, Sundriyal V, Sosonkina M, Shen J, Schoendorff G, Schlinsog M, Sattasathuchana T, Ruedenberg K, Roskop LB, Rendell AP, Poole D, Piecuch P, Pham BQ, Mironov V, Mato J, Leonard S, Leang SS, Ivanic J, Hayes J, Harville T, Gururangan K, Guidez E, Gerasimov IS, Friedl C, Ferreras KN, Elliott G, Datta D, Cruz DDA, Carrington L, Bertoni C, Barca GMJ, Alkan M, Gordon MS. Zahariev F, et al. Among authors: harville t. J Chem Theory Comput. 2023 Oct 24;19(20):7031-7055. doi: 10.1021/acs.jctc.3c00379. Epub 2023 Oct 4. J Chem Theory Comput. 2023. PMID: 37793073
HLA-DR-DQ associations, combined with PLASMIC score, are reliable predictors of acquired thrombotic thrombocytopenic purpura (aTTP) and aid in differentiating aTTP from other thrombotic microangiopathies.
Pandey S, Shrivastava A, Harville YI, Cottler-Fox M, Harville TO. Pandey S, et al. Among authors: harville to. Hematol Transfus Cell Ther. 2024 Feb 8:S2531-1379(24)00012-9. doi: 10.1016/j.htct.2023.11.016. Online ahead of print. Hematol Transfus Cell Ther. 2024. PMID: 38631980 Free article.
Corrigendum: Case report: Initial treatment adjustments and complications in ovarian cancer patient with inborn error of immunity.
Mammadova J, Redden A, Cruz R, Ujhazi B, Gordon S, Ellison M, Gatewood T, Duff C, Cannella A, Somboonwit C, Sriaroon C, Csomos K, Dasso JF, Harville T, Ismail-Khan R, Walter JE. Mammadova J, et al. Among authors: harville t. Front Oncol. 2022 Sep 22;12:1007616. doi: 10.3389/fonc.2022.1007616. eCollection 2022. Front Oncol. 2022. PMID: 36226071 Free PMC article.
Case Report: Initial Treatment Adjustments and Complications in Ovarian Cancer Patient With Inborn Error of Immunity.
Mammadova J, Redden A, Cruz R, Ujhazi B, Ellison M, Gatewood T, Duff C, Canella A, Somboonwit C, Sriaroon C, Dasso JF, Harville T, Ismail-Khan R, Walter JE, Gordon S. Mammadova J, et al. Among authors: harville t. Front Oncol. 2022 Jun 29;12:843741. doi: 10.3389/fonc.2022.843741. eCollection 2022. Front Oncol. 2022. PMID: 35847860 Free PMC article.
Development of ACE2 autoantibodies after SARS-CoV-2 infection.
Arthur JM, Forrest JC, Boehme KW, Kennedy JL, Owens S, Herzog C, Liu J, Harville TO. Arthur JM, et al. Among authors: harville to. PLoS One. 2021 Sep 3;16(9):e0257016. doi: 10.1371/journal.pone.0257016. eCollection 2021. PLoS One. 2021. PMID: 34478478 Free PMC article.
38 results