Year |
Citation |
Score |
2024 |
Liu Z, Hanna G. Population and Energy Transfer Dynamics in an Open Excitonic Quantum Battery. Molecules (Basel, Switzerland). 29. PMID 38398641 DOI: 10.3390/molecules29040889 |
0.359 |
|
2021 |
Carpio-Martínez P, Hanna G. Quantum bath effects on nonequilibrium heat transport in model molecular junctions. The Journal of Chemical Physics. 154: 094108. PMID 33685175 DOI: 10.1063/5.0040752 |
0.394 |
|
2020 |
Tholen P, Peeples CA, Schaper R, Bayraktar C, Erkal TS, Ayhan MM, Çoşut B, Beckmann J, Yazaydin AO, Wark M, Hanna G, Zorlu Y, Yücesan G. Semiconductive microporous hydrogen-bonded organophosphonic acid frameworks. Nature Communications. 11: 3180. PMID 32576877 DOI: 10.1038/S41467-020-16977-0 |
0.307 |
|
2019 |
Carpio-Martínez P, Hanna G. Nonequilibrium heat transport in a molecular junction: A mixed quantum-classical approach. The Journal of Chemical Physics. 151: 074112. PMID 31438711 DOI: 10.1063/1.5113599 |
0.486 |
|
2019 |
Sergi A, Grimaudo R, Hanna G, Messina A. Proposal of a Computational Approach for Simulating Thermal Bosonic Fields in Phase Space Physics. 1: 402-411. DOI: 10.3390/Physics1030029 |
0.348 |
|
2019 |
Liu J, Segal D, Hanna G. Hybrid quantum-classical simulation of quantum speed limits in open quantum systems Journal of Physics a: Mathematical and Theoretical. 52: 215301. DOI: 10.1088/1751-8121/Ab15Eb |
0.537 |
|
2019 |
Liu J, Segal D, Hanna G. Loss-Free Excitonic Quantum Battery The Journal of Physical Chemistry C. 123: 18303-18314. DOI: 10.1021/Acs.Jpcc.9B06373 |
0.433 |
|
2018 |
Liu J, Hsieh CY, Segal D, Hanna G. Heat transfer statistics in mixed quantum-classical systems. The Journal of Chemical Physics. 149: 224104. PMID 30553258 DOI: 10.1063/1.5066025 |
0.477 |
|
2018 |
Liu J, Hanna G. Efficient and Deterministic Propagation of Mixed Quantum-Classical Liouville Dynamics. The Journal of Physical Chemistry Letters. PMID 29947224 DOI: 10.1021/Acs.Jpclett.8B01619 |
0.547 |
|
2018 |
Sergi A, Hanna G, Grimaudo R, Messina A. Quasi-Lie Brackets and the Breaking of Time-Translation Symmetry for Quantum Systems Embedded in Classical Baths Symmetry. 10: 518. DOI: 10.3390/Sym10100518 |
0.552 |
|
2018 |
Hsieh C, Carpio-Martinez P, Hanna G. Achieving ultrafast topologically-protected vibrational energy transfer in a dimer chain Chemical Physics. 515: 315-322. DOI: 10.1016/J.Chemphys.2018.09.006 |
0.437 |
|
2018 |
Dell’Angelo D, Hanna G. On the performance of multi-state transition filtering in mixed quantum-classical Liouville surface-hopping simulations: beyond two- and three-state quantum subsystems Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-017-2194-8 |
0.518 |
|
2017 |
Dell’Angelo D, Hanna G. Importance of eigenvector sign consistency in computations of expectation values via mixed quantum-classical surface-hopping dynamics Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-017-2105-Z |
0.593 |
|
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 |
0.748 |
|
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 |
0.746 |
|
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 |
0.547 |
|
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: 477-85. PMID 26731044 DOI: 10.1021/Acs.Jctc.5B00991 |
0.389 |
|
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 |
0.746 |
|
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 |
0.507 |
|
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 |
0.492 |
|
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 |
0.78 |
|
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 |
0.321 |
|
2014 |
Freedman H, Hanna G. New Insights on Interactions of a Quantum Vibration with an Environment of Hydrogen-Bonded Groups from the Mixed Quantum-Classical Liouville Approach Biophysical Journal. 106: 807a. DOI: 10.1016/J.Bpj.2013.11.4424 |
0.567 |
|
2014 |
Shakib F, Hanna G. Investigations of Model Proton-Coupled Electron Transfer Reactions from a Mixed Quantum-Classical Liouville Perspective Biophysical Journal. 106: 807a. DOI: 10.1016/J.Bpj.2013.11.4423 |
0.769 |
|
2014 |
Hanna G, Kapral R. Quantum-classical liouville dynamics of condensed phase quantum processes Rsc Theoretical and Computational Chemistry Series. 233-259. |
0.414 |
|
2013 |
Rekik N, Hsieh CY, Freedman H, Hanna G. A mixed quantum-classical Liouville study of the population dynamics in a model photo-induced condensed phase electron transfer reaction. The Journal of Chemical Physics. 138: 144106. PMID 24981527 DOI: 10.1063/1.4799272 |
0.574 |
|
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 |
0.486 |
|
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 |
0.412 |
|
2013 |
Martinez F, Rekik N, Hanna G. Simulation of nonlinear optical signals via approximate solutions of the quantum–classical Liouville equation: Application to the pump–probe spectroscopy of a condensed phase electron transfer reaction Chemical Physics Letters. 573: 77-83. DOI: 10.1016/J.Cplett.2013.04.018 |
0.41 |
|
2012 |
Rekik N, Ghalla H, Hanna G. Explaining the structure of the OH stretching band in the IR spectra of strongly hydrogen-bonded dimers of phosphinic acid and their deuterated analogs in the gas phase: a computational study. The Journal of Physical Chemistry. A. 116: 4495-509. PMID 22489963 DOI: 10.1021/Jp3016084 |
0.387 |
|
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 |
0.345 |
|
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 |
0.641 |
|
2010 |
Hanna G, Geva E. Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid Chemical Physics. 370: 201-207. DOI: 10.1016/J.Chemphys.2010.01.013 |
0.587 |
|
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 |
0.693 |
|
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 |
0.727 |
|
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 |
0.644 |
|
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 |
0.667 |
|
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 |
0.686 |
|
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 |
0.692 |
|
2007 |
Hanna G, Kim H, Kapral R. Quantum-classical reaction rate theory Springer Series in Chemical Physics. 295-319. DOI: 10.1007/978-3-540-34460-5_13 |
0.693 |
|
2006 |
Kim H, Hanna G, Kapral R. Analysis of kinetic isotope effects for nonadiabatic reactions. The Journal of Chemical Physics. 125: 084509. PMID 16965031 DOI: 10.1063/1.2336778 |
0.674 |
|
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 |
0.687 |
|
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 |
0.724 |
|
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