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Title: Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H 2 ) → HX + H(X = C( 1 D), S( 1 D))

Authors:
; ; ; ORCiD logo
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1369850
DOE Contract Number:
SC0001198
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 141; Journal Issue: 24; Related Information: CEFRC partners with Princeton University (lead); Argonne National Laboratory; University of Connecticut; Cornell University; Massachusetts Institute of Technology; University of Minnesota; Sandia National Laboratories; University of Southern California; Stanford University; University of Wisconsin, Madison
Country of Publication:
United States
Language:
English

Citation Formats

Suleimanov, Yury V., Kong, Wendi J., Guo, Hua, and Green, William H.. Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2 ) → HX + H(X = C(1D), S(1D)). United States: N. p., 2014. Web. doi:10.1063/1.4904080.
Suleimanov, Yury V., Kong, Wendi J., Guo, Hua, & Green, William H.. Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2 ) → HX + H(X = C(1D), S(1D)). United States. doi:10.1063/1.4904080.
Suleimanov, Yury V., Kong, Wendi J., Guo, Hua, and Green, William H.. Sun . "Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2 ) → HX + H(X = C(1D), S(1D))". United States. doi:10.1063/1.4904080.
@article{osti_1369850,
title = {Ring-polymer molecular dynamics: Rate coefficient calculations for energetically symmetric (near thermoneutral) insertion reactions (X + H2 ) → HX + H(X = C(1D), S(1D))},
author = {Suleimanov, Yury V. and Kong, Wendi J. and Guo, Hua and Green, William H.},
abstractNote = {},
doi = {10.1063/1.4904080},
journal = {Journal of Chemical Physics},
number = 24,
volume = 141,
place = {United States},
year = {Sun Dec 28 00:00:00 EST 2014},
month = {Sun Dec 28 00:00:00 EST 2014}
}