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Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State.
J Am Chem Soc. 2022 Dec 7;144(48):21878-21886. doi: 10.1021/jacs.2c06296. Epub 2022 Nov 29.
J Am Chem Soc. 2022.
PMID: 36444673
Free PMC article.
Anticooperativity of Multiple Halogen Bonds and Its Effect on Stoichiometry of Cocrystals of Perfluorinated Iodobenzenes.
Bedeković N, Piteša T, Eraković M, Stilinović V, Cinčić D.
Bedeković N, et al. Among authors: pitesa t.
Cryst Growth Des. 2022 Apr 6;22(4):2644-2653. doi: 10.1021/acs.cgd.2c00077. Epub 2022 Mar 24.
Cryst Growth Des. 2022.
PMID: 35401054
Free PMC article.
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Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine.
Piteša T, Sapunar M, Ponzi A, Gelin MF, Došlić N, Domcke W, Decleva P.
Piteša T, et al.
J Chem Theory Comput. 2021 Aug 10;17(8):5098-5109. doi: 10.1021/acs.jctc.1c00396. Epub 2021 Jul 16.
J Chem Theory Comput. 2021.
PMID: 34269561
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Photoelimination of Nitrogen from Diazoalkanes: Involvement of Higher Excited Singlet States in the Carbene Formation.
Piteša T, Alešković M, Becker K, Basarić N, Došlić N.
Piteša T, et al.
J Am Chem Soc. 2020 May 27;142(21):9718-9724. doi: 10.1021/jacs.0c02221. Epub 2020 May 12.
J Am Chem Soc. 2020.
PMID: 32349476
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Highly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps.
Sapunar M, Piteša T, Davidović D, Došlić N.
Sapunar M, et al. Among authors: pitesa t.
J Chem Theory Comput. 2019 Jun 11;15(6):3461-3469. doi: 10.1021/acs.jctc.9b00235. Epub 2019 May 10.
J Chem Theory Comput. 2019.
PMID: 31038947
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