Ab initio computational spectroscopy and vibrational dynamics of polyatomic molecules: Applications to syn and anti-CH3CHOO and NO3

Autor: Bowman, Joel M., Wang, Xiaohong, Homayoon, Zahra

Publikováno v: In Journal of Molecular Spectroscopy May 2015 311:2-11

Chemical dynamics simulations of CID of peptide ions: comparisons between TIK(H+)2 and TLK(H+)2 fragmentation dynamics, and with thermal simulations

Autor: Homayoon, Zahra, Macaluso, Veronica, Martín-Sómer, Ana, Muniz, Maria Carolina Nicola Barbosa, Borges, Itamar, Hase, William, Spezia, Ana, Spezia, Riccardo

Publikováno v: Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 2018, 20 (5), pp.3614-3629. ⟨10.1039/C7CP06818B⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (5), pp.3614-3629. ⟨10.1039/C7CP06818B⟩

International audience; Gas phase unimolecular fragmentation of the two model doubly protonated tripeptides threonine–isoleucine–lysine (TIK) and threonine–leucine–lysine (TLK) is studied using chemical dynamics simulations. Attention is focu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::888396fcb7ee2a31eb7bbbdbfed66552
https://hal.science/hal-02104390

Photodissociation dynamics of nitromethane and methyl nitrite by infrared multiphoton dissociation imaging with quasiclassical trajectory calculations: Signatures of the roaming pathway.

Autor: Dey, Arghya, Fernando, Ravin, Abeysekera, Chamara, Homayoon, Zahra, Bowman, Joel M., Suits, Arthur G.

Publikováno v: Journal of Chemical Physics; 2/7/2014, Vol. 140 Issue 5, p054305-1-054305-8, 8p, 1 Chart, 8 Graphs

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Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H⁺)2.

Autor: Macaluso, Veronica, Homayoon, Zahra, Spezia, Riccardo, Hase, William L.

Publikováno v: Physical Chemistry Chemical Physics (PCCP); 8/14/2018, Vol. 20 Issue 30, p19744-19749, 6p