Reaction-path dynamics for polyatomic systems
Тип публикации: Journal Article
Дата публикации: 1983-09-01
SJR: 1.641
CiteScore: —
Impact factor: —
ISSN: 00223654, 15415740
Physical and Theoretical Chemistry
General Engineering
Краткое описание
Recent advances in computational quantum chemistry are making it increasingly feasible to determine the minimum-energy paths for polyatomic reaction processes. (This is the steepest descent path, in mass-weighted Cartesian coordinates, through a transition state from reactants to products). This paper reviews a methodology for basing a reaction dynamics on such a reaction path (plus harmonic fluctuations about it). Some of the applications of the approach are discussed, as well as its generalizations and extensions. 3 figures.
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ГОСТ
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Miller W. Reaction-path dynamics for polyatomic systems // The Journal of Physical Chemistry. 1983. Vol. 87. No. 20. pp. 3811-3819.
ГОСТ со всеми авторами (до 50)
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Miller W. Reaction-path dynamics for polyatomic systems // The Journal of Physical Chemistry. 1983. Vol. 87. No. 20. pp. 3811-3819.
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RIS
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TY - JOUR
DO - 10.1021/j100243a007
UR - https://doi.org/10.1021/j100243a007
TI - Reaction-path dynamics for polyatomic systems
T2 - The Journal of Physical Chemistry
AU - Miller, W.H
PY - 1983
DA - 1983/09/01
PB - American Chemical Society (ACS)
SP - 3811-3819
IS - 20
VL - 87
SN - 0022-3654
SN - 1541-5740
ER -
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BibTex (до 50 авторов)
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@article{1983_Miller,
author = {W.H Miller},
title = {Reaction-path dynamics for polyatomic systems},
journal = {The Journal of Physical Chemistry},
year = {1983},
volume = {87},
publisher = {American Chemical Society (ACS)},
month = {sep},
url = {https://doi.org/10.1021/j100243a007},
number = {20},
pages = {3811--3819},
doi = {10.1021/j100243a007}
}
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MLA
Скопировать
Miller, W.H. “Reaction-path dynamics for polyatomic systems.” The Journal of Physical Chemistry, vol. 87, no. 20, Sep. 1983, pp. 3811-3819. https://doi.org/10.1021/j100243a007.
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