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Enhancing Singlet Fission Coupling with Nonbonding Orbitals.
J Chem Theory Comput. 2022 Feb 8;18(2):1017-1029. doi: 10.1021/acs.jctc.1c00868. Epub 2022 Jan 4.
J Chem Theory Comput. 2022.
PMID: 34982933
Hamiltonian-Independent Generalization of the Fragment Excitation Difference Scheme.
Kue KY, Claudio GC, Hsu CP.
Kue KY, et al. Among authors: claudio gc.
J Chem Theory Comput. 2018 Mar 13;14(3):1304-1310. doi: 10.1021/acs.jctc.7b01103. Epub 2018 Feb 6.
J Chem Theory Comput. 2018.
PMID: 29357258
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First Principle Prediction of Intramolecular Singlet Fission and Triplet Triplet Annihilation Rates.
Lin HH, Kue KY, Claudio GC, Hsu CP.
Lin HH, et al. Among authors: claudio gc.
J Chem Theory Comput. 2019 Apr 9;15(4):2246-2253. doi: 10.1021/acs.jctc.8b01185. Epub 2019 Mar 21.
J Chem Theory Comput. 2019.
PMID: 30860838
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Machine Learning for Predicting Electron Transfer Coupling.
Wang CI, Braza MKE, Claudio GC, Nellas RB, Hsu CP.
Wang CI, et al. Among authors: claudio gc.
J Phys Chem A. 2019 Sep 12;123(36):7792-7802. doi: 10.1021/acs.jpca.9b04256. Epub 2019 Sep 3.
J Phys Chem A. 2019.
PMID: 31429287
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Structural Dynamics of Neighboring Water Molecules of N-Isopropylacrylamide Pentamer.
Custodio KKS, Claudio GC, Nellas RB.
Custodio KKS, et al. Among authors: claudio gc.
ACS Omega. 2020 Jan 10;5(3):1408-1413. doi: 10.1021/acsomega.9b02898. eCollection 2020 Jan 28.
ACS Omega. 2020.
PMID: 32010812
Free PMC article.
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Molecular dynamics simulations of two double-helical hexamer fragments of iota-carrageenan in aqueous solution.
Perez SJLP, Claudio GC.
Perez SJLP, et al. Among authors: claudio gc.
J Mol Graph Model. 2020 Jul;98:107588. doi: 10.1016/j.jmgm.2020.107588. Epub 2020 Mar 19.
J Mol Graph Model. 2020.
PMID: 32220758
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Conformational disorder and ultrafast exciton relaxation in PPV-family conjugated polymers.
Dykstra TE, Hennebicq E, Beljonne D, Gierschner J, Claudio G, Bittner ER, Knoester J, Scholes GD.
Dykstra TE, et al.
J Phys Chem B. 2009 Jan 22;113(3):656-67. doi: 10.1021/jp807249b.
J Phys Chem B. 2009.
PMID: 19105646
Free article.
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Comparison of a hydrogel model to the Poisson-Boltzmann cell model.
Claudio GC, Kremer K, Holm C.
Claudio GC, et al.
J Chem Phys. 2009 Sep 7;131(9):094903. doi: 10.1063/1.3207275.
J Chem Phys. 2009.
PMID: 19739869
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