DOI: 10.1103/physrevlett.97.028303. Realistic Quantitative Descriptions of Electron Transfer Reactions: Diabatic Free-Energy Surfaces from First-Principles Molecular Dynamics

Realistic Quantitative Descriptions of Electron Transfer Reactions: Diabatic Free-Energy Surfaces from First-Principles Molecular Dynamics

10.1103/physrevlett.97.028303

Crossref journal-article

American Physical Society (APS)

Physical Review Letters (16)

Bibliography

Sit, P. H.-L., Cococcioni, M., & Marzari, N. (2006). Realistic Quantitative Descriptions of Electron Transfer Reactions: Diabatic Free-Energy Surfaces from First-Principles Molecular Dynamics. Physical Review Letters, 97(2).

Authors 3

P. H.-L. Sit (first)
Matteo Cococcioni (additional)
Nicola Marzari (additional)

References 30 Referenced 62

{'volume-title': 'Electron Transfer Processes in Chemistry and Biology', 'year': '1999', 'author': 'A. Kuznetsov', 'key': 'PhysRevLett.97.028303Cc1R1'} / Electron Transfer Processes in Chemistry and Biology by A. Kuznetsov (1999)
10.1126/science.1081572
10.1016/0304-4173(85)90014-X / Biochim. Biophys. Acta by R. A. Marcus (1985)
10.1146/annurev.pc.35.100184.002253
10.1146/annurev.pc.42.100191.001431
10.1103/RevModPhys.65.599
{'volume-title': 'Classical and Quantum Dynamics in Condensed Phase Simulations', 'year': '1998', 'author': 'D. Chandler', 'key': 'PhysRevLett.97.028303Cc7R1'} / Classical and Quantum Dynamics in Condensed Phase Simulations by D. Chandler (1998)
10.1021/j100209a016
10.1038/260679a0
10.1063/1.454929
10.1021/jp994164h
10.1063/1.449981
10.1063/1.459255
10.1103/PhysRevLett.88.213002
10.1021/ja0390754
10.1103/PhysRevLett.55.2471
10.1103/PhysRevB.47.10142
10.1103/PhysRevB.51.4014
10.1021/j100194a059
10.1063/1.2168456
10.1103/PhysRevLett.53.2512
{'key': 'PhysRevLett.97.028303Cc24R1', 'first-page': '1289', 'volume': '50', 'author': 'P.\u2009H.-L. Sit', 'year': '2005', 'journal-title': 'Bull. Am. Phys. Soc.', 'ISSN': 'https://id.crossref.org/issn/0003-0503', 'issn-type': 'print'} / Bull. Am. Phys. Soc. by P. H.-L. Sit (2005)
10.1103/PhysRevB.71.205210
10.1103/PhysRevA.72.024502
10.1103/PhysRevLett.94.036104
10.1021/ja00237a007
10.1063/1.443110
10.1063/1.1687318
10.1063/1.1630560
10.1063/1.1908913

Dates

Type	When
Created	19 years, 1 month ago (July 11, 2006, 6:16 p.m.)
Deposited	7 months, 3 weeks ago (Jan. 2, 2025, 6:28 p.m.)
Indexed	1 month, 2 weeks ago (July 4, 2025, 4:26 a.m.)
Issued	19 years, 1 month ago (July 11, 2006)
Published	19 years, 1 month ago (July 11, 2006)
Published Online	19 years, 1 month ago (July 11, 2006)

Funders 0

None

BibTeX

@article{Sit_2006, title={Realistic Quantitative Descriptions of Electron Transfer Reactions: Diabatic Free-Energy Surfaces from First-Principles Molecular Dynamics}, volume={97}, ISSN={1079-7114}, url={http://dx.doi.org/10.1103/physrevlett.97.028303}, DOI={10.1103/physrevlett.97.028303}, number={2}, journal={Physical Review Letters}, publisher={American Physical Society (APS)}, author={Sit, P. H.-L. and Cococcioni, Matteo and Marzari, Nicola}, year={2006}, month=jul }

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