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Quantitative Hole Mobility Simulation and Validation in Substituted Acenes.
J Phys Chem Lett. 2022 Jun 23;13(24):5530-5537. doi: 10.1021/acs.jpclett.2c00898. Epub 2022 Jun 13.
J Phys Chem Lett. 2022.
PMID: 35695809
Free article.
Davis Computational Spectroscopy Workflow-From Structure to Spectra.
Cavalcante LSR, Daemen LL, Goldman N, Moulé AJ.
Cavalcante LSR, et al.
J Chem Inf Model. 2021 Sep 27;61(9):4486-4496. doi: 10.1021/acs.jcim.1c00688. Epub 2021 Aug 27.
J Chem Inf Model. 2021.
PMID: 34449225
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Comparing the Expense and Accuracy of Methods to Simulate Atomic Vibrations in Rubrene.
Dettmann MA, Cavalcante LSR, Magdaleno C, Masalkovaitė K, Vong D, Dull JT, Rand BP, Daemen LL, Goldman N, Faller R, Moulé AJ.
Dettmann MA, et al. Among authors: cavalcante lsr.
J Chem Theory Comput. 2021 Dec 14;17(12):7313-7320. doi: 10.1021/acs.jctc.1c00747. Epub 2021 Nov 24.
J Chem Theory Comput. 2021.
PMID: 34818006
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Elucidating correlated defects in metal organic frameworks using theory-guided inelastic neutron scattering spectroscopy.
Cavalcante LSR, Dettmann MA, Sours T, Yang D, Daemen LL, Gates BC, Kulkarni AR, Moulé AJ.
Cavalcante LSR, et al.
Mater Horiz. 2023 Jan 3;10(1):187-196. doi: 10.1039/d2mh00914e.
Mater Horiz. 2023.
PMID: 36330997
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Luminescent Emission of Excited Rydberg Excitons from Monolayer WSe2.
Chen SY, Lu Z, Goldstein T, Tong J, Chaves A, Kunstmann J, Cavalcante LSR, Woźniak T, Seifert G, Reichman DR, Taniguchi T, Watanabe K, Smirnov D, Yan J.
Chen SY, et al. Among authors: cavalcante lsr.
Nano Lett. 2019 Apr 10;19(4):2464-2471. doi: 10.1021/acs.nanolett.9b00029. Epub 2019 Mar 25.
Nano Lett. 2019.
PMID: 30860854
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