Publications by authors named "Zahra Homayoon"

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Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H).
Veronica Macaluso, Zahra Homayoon, Riccardo Spezia, William L Hase

Phys Chem Chem Phys· August 2018

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Chemical dynamics simulations of CID of peptide ions: comparisons between TIK(H) and TLK(H) fragmentation dynamics, and with thermal simulations.
Zahra Homayoon, Veronica Macaluso, Ana Martin-Somer, Maria Carolina Nicola Barbosa Muniz, Itamar Borges

Phys Chem Chem Phys· January 2018

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Direct Chemical Dynamics Simulations.
Subha Pratihar, Xinyou Ma, Zahra Homayoon, George L Barnes, William L Hase

J Am Chem Soc· March 2017

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Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales.
Riccardo Spezia, Ana Martin-Somer, Veronica Macaluso, Zahra Homayoon, Subha Pratihar

Faraday Discuss· December 2016

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Model Simulations of the Thermal Dissociation of the TIK(H) Tripeptide: Mechanisms and Kinetic Parameters.
Zahra Homayoon, Subha Pratihar, Edward Dratz, Ross Snider, Riccardo Spezia

J Phys Chem A· October 2016

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Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates.
Zahra Homayoon, Riccardo Conte, Chen Qu, Joel M Bowman

J Chem Phys· August 2015

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Visible/Infrared Dissociation of NO3: Roaming in the Dark or Roaming on the Ground?
Ravin Fernando, Arghya Dey, Bernadette M Broderick, Bina Fu, Zahra Homayoon

J Phys Chem A· July 2015

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Communication: MULTIMODE calculations of low-lying vibrational states of NO3 using an adiabatic potential energy surface.
Zahra Homayoon, Joel M Bowman

J Chem Phys· October 2014

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Quasiclassical Trajectory Calculations of the N((2)D) + H2O Reaction Elucidating the Formation Mechanism of HNO and HON Seen in Molecular Beam Experiments.
Zahra Homayoon, Joel M Bowman, Nadia Balucani, Piergiorgio Casavecchia

J Phys Chem Lett· October 2014

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MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO⁺(H₂O) cluster using accurate potential energy and dipole moment surfaces.
Zahra Homayoon

J Chem Phys· September 2014

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Calculations of Mode-Specific Tunneling of Double-Hydrogen Transfer in Porphycene Agree with and Illuminate Experiment.
Zahra Homayoon, Joel M Bowman, Francesco A Evangelista

J Phys Chem Lett· August 2014

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Photodissociation dynamics of nitromethane and methyl nitrite by infrared multiphoton dissociation imaging with quasiclassical trajectory calculations: signatures of the roaming pathway.
Arghya Dey, Ravin Fernando, Chamara Abeysekera, Zahra Homayoon, Joel M Bowman

J Chem Phys· February 2014

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A global potential energy surface describing the N((2)D) + H2O reaction and a quasiclassical trajectory study of the reaction to NH + OH.
Zahra Homayoon, Joel M Bowman

J Phys Chem A· January 2014

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Quasiclassical trajectory study of CH3NO2 decomposition via roaming mediated isomerization using a global potential energy surface.
Zahra Homayoon, Joel M Bowman

J Phys Chem A· November 2013

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Communication: rate coefficients from quasiclassical trajectory calculations from the reverse reaction: The Mu + H2 reaction re-visited.
Zahra Homayoon, Pablo G Jambrina, F Javier Aoiz, Joel M Bowman

J Chem Phys· July 2012

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Multichannel RRKM-TST and CVT rate constant calculations for reactions of CH2OH or CH3O with HO2.
S Hosein Mousavipour, Zahra Homayoon

J Phys Chem A· April 2011

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Ab initio and RRKM study of the HCN/HNC elimination channels from vinyl cyanide.
Zahra Homayoon, Saulo A Vázquez, Roberto Rodríguez-Fernández, Emilio Martínez-Núñez

J Phys Chem A· February 2011

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