Lopez SA - Search Results

1

Virtual Excited State Reference for the Discovery of Electronic Materials Database: An Open-Access Resource for Ground and Excited State Properties of Organic Molecules.

Abreha BG, Agarwal S, Foster I, Blaiszik B, Lopez SA. Abreha BG, et al. Among authors: lopez sa. J Phys Chem Lett. 2019 Nov 7;10(21):6835-6841. doi: 10.1021/acs.jpclett.9b02577. Epub 2019 Oct 23. J Phys Chem Lett. 2019. PMID: 31642678

2

Multiconfigurational Calculations and Nonadiabatic Molecular Dynamics Explain Tricyclooctadiene Photochemical Chemoselectivity.

Li J, Lopez SA. Li J, et al. Among authors: lopez sa. J Phys Chem A. 2020 Sep 24;124(38):7623-7632. doi: 10.1021/acs.jpca.0c05280. Epub 2020 Sep 14. J Phys Chem A. 2020. PMID: 32866386

3

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. Among authors: lopez sa. 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

4

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: lopez sa. 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

5

Photophysical Tuning of Shortwave Infrared Flavylium Heptamethine Dyes via Substituent Placement.

Pengshung M, Li J, Mukadum F, Lopez SA, Sletten EM. Pengshung M, et al. Among authors: lopez sa. Org Lett. 2020 Aug 7;22(15):6150-6154. doi: 10.1021/acs.orglett.0c02213. Epub 2020 Jul 29. Org Lett. 2020. PMID: 32790432 Free PMC article.

6

A Theoretical Stereoselectivity Model of Photochemical Denitrogenations of Diazoalkanes Toward Strained 1,3-Dihalogenated Bicyclobutanes.

Li J, Stein R, Lopez SA. Li J, et al. Among authors: lopez sa. J Org Chem. 2021 Mar 5;86(5):4061-4070. doi: 10.1021/acs.joc.0c02905. Epub 2021 Feb 5. J Org Chem. 2021. PMID: 33543612 Free article.

7

Efficient Discovery of Visible Light-Activated Azoarene Photoswitches with Long Half-Lives Using Active Search.

Mukadum F, Nguyen Q, Adrion DM, Appleby G, Chen R, Dang H, Chang R, Garnett R, Lopez SA. Mukadum F, et al. Among authors: lopez sa. 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

8

Cross-conjugation controls the stabilities and photophysical properties of heteroazoarene photoswitches.

Adrion DM, Lopez SA. Adrion DM, et al. Among authors: lopez sa. Org Biomol Chem. 2022 Aug 3;20(30):5989-5998. doi: 10.1039/d1ob02026a. Org Biomol Chem. 2022. PMID: 35014651

9

Excited-State Distortions Promote the Photochemical 4π-Electrocyclizations of Fluorobenzenes via Machine Learning Accelerated Photodynamics Simulations.

Li J, Lopez SA. Li J, et al. Among authors: lopez sa. Chemistry. 2022 Jul 6;28(38):e202200651. doi: 10.1002/chem.202200651. Epub 2022 May 25. Chemistry. 2022. PMID: 35474348

10

A Look Inside the Black Box of Machine Learning Photodynamics Simulations.

Li J, Lopez SA. Li J, et al. Among authors: lopez sa. Acc Chem Res. 2022 Jul 19;55(14):1972-1984. doi: 10.1021/acs.accounts.2c00288. Epub 2022 Jul 7. Acc Chem Res. 2022. PMID: 35796602

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