DOI: 10.1063/1.436579. Initial condition effects for diffusive barrier crossing

Initial condition effects for diffusive barrier crossing

10.1063/1.436579

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A formulation and analysis of transient initial condition effects on reaction is given for the diffusive limit of barrier crossing between two stable chemical states. We focus on the case where the system is initially prepared in the high energy intermediate barrier region located between the stable states. It is shown how branching fluxes into and branching probabilities for stable states can be both calculated for and determined from analysis of stable state population dynamics.

Bibliography

Northrup, S. H., & Hynes, J. T. (1978). Initial condition effects for diffusive barrier crossing. The Journal of Chemical Physics, 69(12), 5261â5266.

Authors 2

Scott H. Northrup (first)
James T. Hynes (additional)

References 17 Referenced 27

10.1063/1.436578 / J. Chem. Phys. (1978)
{'key': '2024020917240659700_r2'}
10.1063/1.1761540 / Phys. Fluids (1966)
{'key': '2024020917240659700_r3'}
{'key': '2024020917240659700_r4'}
10.1007/BF01268919 / J. Stat. Phys. (1977)
{'key': '2024020917240659700_r6'}
{'key': '2024020917240659700_r7'}
{'key': '2024020917240659700_r8'}
{'key': '2024020917240659700_r9'}
10.1103/PhysRev.36.823 / Phys. Rev. (1930)
{'key': '2024020917240659700_r11'}
{'key': '2024020917240659700_r12', 'first-page': '3549', 'volume': '59', 'year': '1973', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1973)
10.1007/BF01010220 / J. Stat. Phys. (1974)
10.1016/0009-2614(77)85146-4 / Chem. Phys. Lett. (1977)
10.1016/0009-2614(78)80094-3 / Chem. Phys. Lett. (1978)
10.1016/0009-2614(78)80093-1 / Chem. Phys. Lett. (1978)

Dates

Type	When
Created	22 years, 5 months ago (Feb. 27, 2003, 4:26 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 2:13 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 6:47 a.m.)
Issued	46 years, 8 months ago (Dec. 15, 1978)
Published	46 years, 8 months ago (Dec. 15, 1978)
Published Print	46 years, 8 months ago (Dec. 15, 1978)

Funders 0

None

BibTeX

@article{Northrup_1978, title={Initial condition effects for diffusive barrier crossing}, volume={69}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.436579}, DOI={10.1063/1.436579}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Northrup, Scott H. and Hynes, James T.}, year={1978}, month=dec, pages={5261–5266} }

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