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Efficient Discovery of Visible Light-Activated Azoarene Photoswitches with Long Half-Lives Using Active Search.
J Chem Inf Model. 2021 Nov 22;61(11):5524-5534. doi: 10.1021/acs.jcim.1c00954. Epub 2021 Nov 9.
J Chem Inf Model. 2021.
PMID: 34752100
Cross-conjugation controls the stabilities and photophysical properties of heteroazoarene photoswitches.
Adrion DM, Lopez SA.
Adrion DM, et al.
Org Biomol Chem. 2022 Aug 3;20(30):5989-5998. doi: 10.1039/d1ob02026a.
Org Biomol Chem. 2022.
PMID: 35014651
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Benchmarking of Density Functionals for Z-Azoarene Half-Lives via Automated Transition State Search.
Adrion DM, Kaliakin DS, Neal P, Lopez SA.
Adrion DM, et al.
J Phys Chem A. 2021 Jul 29;125(29):6474-6485. doi: 10.1021/acs.jpca.1c01695. Epub 2021 Jul 14.
J Phys Chem A. 2021.
PMID: 34260236
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Machine-Learning Photodynamics Simulations Uncover the Role of Substituent Effects on the Photochemical Formation of Cubanes.
Li J, Stein R, Adrion DM, Lopez SA.
Li J, et al. Among authors: adrion dm.
J Am Chem Soc. 2021 Dec 8;143(48):20166-20175. doi: 10.1021/jacs.1c07725. Epub 2021 Nov 17.
J Am Chem Soc. 2021.
PMID: 34787403
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A Green Chemistry Approach toward the Stereospecific Synthesis of Densely Functionalized Cyclopropanes via the Solid-State Photodenitrogenation of Crystalline 1-Pyrazolines.
Chang TY, Adrion DM, Meyer AR, Lopez SA, Garcia-Garibay MA.
Chang TY, et al. Among authors: adrion dm.
J Org Chem. 2022 Mar 4;87(5):2277-2288. doi: 10.1021/acs.joc.1c01808. Epub 2022 Jan 18.
J Org Chem. 2022.
PMID: 35041410
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Multiconfigurational photodynamics simulations reveal the mechanism of photodecarbonylations of cyclopropenones in explicit aqueous environments.
Adrion DM, Karunaratne WV, Lopez SA.
Adrion DM, et al.
Chem Sci. 2023 Nov 10;14(45):13205-13218. doi: 10.1039/d3sc03805j. eCollection 2023 Nov 22.
Chem Sci. 2023.
PMID: 38023495
Free PMC article.
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Design rules for optimization of photophysical and kinetic properties of azoarene photoswitches.
Adrion DM, Lopez SA.
Adrion DM, et al.
Org Biomol Chem. 2023 Sep 20;21(36):7351-7357. doi: 10.1039/d3ob01298k.
Org Biomol Chem. 2023.
PMID: 37646103
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