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Journal Abstract Search

279 related items for PubMed ID: 29393948

  • 1. Ultrafast intersystem crossing for nitrophenols: ab initio nonadiabatic molecular dynamics simulation.
    Xu C, Gu FL, Zhu C.
    Phys Chem Chem Phys; 2018 Feb 21; 20(8):5606-5616. PubMed ID: 29393948
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  • 2. Intersystem crossing-branched excited-state intramolecular proton transfer for o-nitrophenol: An ab initio on-the-fly nonadiabatic molecular dynamic simulation.
    Xu C, Yu L, Zhu C, Yu J, Cao Z.
    Sci Rep; 2016 May 25; 6():26768. PubMed ID: 27221650
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  • 5. Photorelaxation Pathways of 4-(N,N-Dimethylamino)-4'-nitrostilbene Upon S1 Excitation Revealed by Conical Intersection and Intersystem Crossing Networks.
    He Z, Xue R, Lei Y, Yu L, Zhu C.
    Molecules; 2020 May 09; 25(9):. PubMed ID: 32397393
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  • 8. Sub-500 fs electronically nonadiabatic chemical dynamics of energetic molecules from the S1 excited state: Ab initio multiple spawning study.
    Ghosh J, Gajapathy H, Konar A, Narasimhaiah GM, Bhattacharya A.
    J Chem Phys; 2017 Nov 28; 147(20):204302. PubMed ID: 29195277
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  • 10. Ab initio multiple spawning dynamics study of dimethylnitramine and dimethylnitramine-Fe complex to model their ultrafast nonadiabatic chemistry.
    Bera A, Ghosh J, Bhattacharya A.
    J Chem Phys; 2017 Jul 28; 147(4):044308. PubMed ID: 28764390
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  • 11. Probing the π → π* photoisomerization mechanism of trans-azobenzene by multi-state ab initio on-the-fly trajectory dynamics simulations.
    Xu C, Yu L, Gu FL, Zhu C.
    Phys Chem Chem Phys; 2018 Sep 26; 20(37):23885-23897. PubMed ID: 30019063
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  • 15. Ab initio insight into ultrafast nonadiabatic decay of hypoxanthine: keto-N7H and keto-N9H tautomers.
    Guo X, Lan Z, Cao Z.
    Phys Chem Chem Phys; 2013 Jul 14; 15(26):10777-82. PubMed ID: 23689465
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  • 17. Quantum chemical interpretation of ultrafast luminescence decay and intersystem crossings in rhenium(I) carbonyl bipyridine complexes.
    Gourlaouen C, Eng J, Otsuka M, Gindensperger E, Daniel C.
    J Chem Theory Comput; 2015 Jan 13; 11(1):99-110. PubMed ID: 26574208
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  • 19. Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.
    Gan Y, Yue L, Guo X, Zhu C, Cao Z.
    Phys Chem Chem Phys; 2017 May 17; 19(19):12094-12106. PubMed ID: 28443858
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  • 20. Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture.
    Mai S, Marquetand P, González L.
    J Phys Chem Lett; 2016 Jun 02; 7(11):1978-83. PubMed ID: 27167106
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