Gabriel Hanna - Publications

Affiliations: 
2006-2009 Department of Chemistry University of Alberta, Edmonton, Alberta, Canada 

23 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Shakib F, Hanna G. A Mixed Quantum-Classical Liouville Approach for Calculating Proton-Coupled Electron Transfer Rate Constants. Journal of Chemical Theory and Computation. PMID 27232936 DOI: 10.1021/acs.jctc.6b00362  1
2016 Shakib FA, Hanna G. New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach. The Journal of Chemical Physics. 144: 024110. PMID 26772557 DOI: 10.1063/1.4939586  1
2016 Martinez F, Hanna G. Mixed Quantum-Classical Simulations of Transient Absorption Pump-Probe Signals for a Photo-Induced Electron Transfer Reaction Coupled to an Inner-Sphere Vibrational Mode. The Journal of Physical Chemistry. A. PMID 26766568 DOI: 10.1021/acs.jpca.5b11727  1
2016 Shakib FA, Hanna G. New insights into the nonadiabatic state population dynamics of model proton-coupled electron transfer reactions from the mixed quantum-classical Liouville approach Journal of Chemical Physics. 144. DOI: 10.1063/1.4939586  1
2016 Dell'Angelo D, Hanna G. Self-Consistent Filtering Scheme for Efficient Calculations of Observables via the Mixed Quantum-Classical Liouville Approach Journal of Chemical Theory and Computation. 12: 477-485. DOI: 10.1021/acs.jctc.5b00991  1
2016 Freedman H, Hanna G. Mixed quantum–classical Liouville simulation of vibrational energy transfer in a model α-helix at 300 K Chemical Physics. 477: 74-87. DOI: 10.1016/j.chemphys.2016.08.015  1
2015 Martinez F, Hanna G. Assessment of approximate solutions of the quantum-classical Liouville equation for dynamics simulations of quantum subsystems embedded in classical environments Molecular Simulation. 41: 107-122. DOI: 10.1080/08927022.2014.923573  1
2014 Galib M, Hanna G. Molecular dynamics simulations predict an accelerated dissociation of H2CO3 at the air-water interface. Physical Chemistry Chemical Physics : Pccp. 16: 25573-82. PMID 25351335 DOI: 10.1039/c4cp03302g  1
2014 Shakib FA, Hanna G. An analysis of model proton-coupled electron transfer reactions via the mixed quantum-classical Liouville approach. The Journal of Chemical Physics. 141: 044122. PMID 25084896 DOI: 10.1063/1.4890915  1
2014 Galib M, Hanna G. The role of hydrogen bonding in the decomposition of H₂CO₃ in water: mechanistic insights from ab initio metadynamics studies of aqueous clusters. The Journal of Physical Chemistry. B. 118: 5983-93. PMID 24814473 DOI: 10.1021/jp5029195  1
2014 Hanna G, Kapral R. Quantum-classical liouville dynamics of condensed phase quantum processes Rsc Theoretical and Computational Chemistry Series. 233-259.  1
2013 Tomkins J, Hanna G. Signatures of nanoconfinement on the linear and nonlinear vibrational spectroscopy of a model hydrogen-bonded complex dissolved in a polar solvent. The Journal of Physical Chemistry. B. 117: 13619-30. PMID 24079369 DOI: 10.1021/jp407469f  1
2013 Sow CS, Tomkins J, Hanna G. Computational study of the one- and two-dimensional infrared spectra of a proton-transfer mode in a hydrogen-bonded complex dissolved in a polar nanocluster. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 3309-18. PMID 23946271 DOI: 10.1002/cphc.201300610  1
2011 Galib M, Hanna G. Mechanistic insights into the dissociation and decomposition of carbonic acid in water via the hydroxide route: an ab initio metadynamics study. The Journal of Physical Chemistry. B. 115: 15024-35. PMID 22053746 DOI: 10.1021/jp207752m  1
2011 Hanna G, Geva E. Signature of nonadiabatic transitions on the pump-probe infrared spectra of a hydrogen-bonded complex dissolved in a polar solvent: a computational study. The Journal of Physical Chemistry. B. 115: 5191-200. PMID 20853862 DOI: 10.1021/jp1061495  1
2009 McRobbie PL, Hanna G, Shi Q, Geva E. Signatures of nonequilibrium solvation dynamics on multidimensional spectra. Accounts of Chemical Research. 42: 1299-309. PMID 19552404 DOI: 10.1021/ar800280s  1
2009 Hanna G, Geva E. Multidimensional spectra via the mixed quantum-classical Liouville method: signatures of nonequilibrium dynamics. The Journal of Physical Chemistry. B. 113: 9278-88. PMID 19530666 DOI: 10.1021/jp902797z  1
2008 Hanna G, Geva E. Isotope effects on the vibrational relaxation and multidimensional infrared spectra of the hydrogen stretch in a hydrogen-bonded complex dissolved in a polar liquid. The Journal of Physical Chemistry. B. 112: 15793-800. PMID 19368017 DOI: 10.1021/jp8072816  1
2008 Hanna G, Geva E. Computational study of the one and two dimensional infrared spectra of a vibrational mode strongly coupled to its environment: beyond the cumulant and condon approximations. The Journal of Physical Chemistry. B. 112: 12991-3004. PMID 18800856 DOI: 10.1021/jp804120v  1
2008 Hanna G, Kapral R. Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex. The Journal of Chemical Physics. 128: 164520. PMID 18447472 DOI: 10.1063/1.2907847  1
2008 Hanna G, Geva E. Vibrational energy relaxation of a hydrogen-bonded complex dissolved in a polar liquid via the mixed quantum-classical Liouville method. The Journal of Physical Chemistry. B. 112: 4048-58. PMID 18331018 DOI: 10.1021/jp076155b  1
2006 Hanna G, Kapral R. Nonadiabatic dynamics of condensed phase rate processes. Accounts of Chemical Research. 39: 21-7. PMID 16411736 DOI: 10.1021/ar030281q  1
2005 Hanna G, Kapral R. Quantum-classical Liouville dynamics of nonadiabatic proton transfer. The Journal of Chemical Physics. 122: 244505. PMID 16035780 DOI: 10.1063/1.1940051  1
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