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568 related items for PubMed ID: 29195277

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  • 2. 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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  • 4. Ultrafast S1 to S0 internal conversion dynamics for dimethylnitramine through a conical intersection.
    Guo Y, Bhattacharya A, Bernstein ER.
    J Phys Chem A; 2011 Sep 01; 115(34):9349-53. PubMed ID: 21351779
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  • 5. Photodecarbonylation mechanism of cyclopropenone in the gas phase: electronic structure calculation and AIMS dynamics simulation.
    Liu L, Xia S, Fang WH.
    J Phys Chem A; 2014 Oct 02; 118(39):8977-85. PubMed ID: 24742337
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  • 6. Initial mechanisms for the decomposition of electronically excited energetic materials: 1,5'-BT, 5,5'-BT, and AzTT.
    Yuan B, Yu Z, Bernstein ER.
    J Chem Phys; 2015 Mar 28; 142(12):124315. PubMed ID: 25833587
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  • 11. A comparison of the decomposition of electronically excited nitro-containing molecules with energetic moieties C-NO2, N-NO2, and O-NO2.
    Bhattacharya A, Guo Y, Bernstein ER.
    J Chem Phys; 2012 Jan 14; 136(2):024321. PubMed ID: 22260593
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  • 12. On the electronically nonadiabatic decomposition dynamics of furazan and triazole energetic molecules.
    Ghosh J, Gajapathy H, Jayachandran A, Bernstein ER, Bhattacharya A.
    J Chem Phys; 2019 Apr 28; 150(16):164304. PubMed ID: 31042884
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  • 14. 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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