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Li, Jun, Jiang, Bin, Guo, Hua (2013) Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction. The Journal of Chemical Physics, 138 (7). 74309pp. doi:10.1063/1.4791640

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Reference TypeJournal (article/letter/editorial)
TitleSpin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction
JournalThe Journal of Chemical Physics
AuthorsLi, JunAuthor
Jiang, BinAuthor
Guo, HuaAuthor
Year2013 (February 21)Volume138
Issue7
PublisherAIP Publishing
DOIdoi:10.1063/1.4791640Search in ResearchGate
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Mindat Ref. ID2361607Long-form Identifiermindat:1:5:2361607:1
GUID0
Full ReferenceLi, Jun, Jiang, Bin, Guo, Hua (2013) Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction. The Journal of Chemical Physics, 138 (7). 74309pp. doi:10.1063/1.4791640
Plain TextLi, Jun, Jiang, Bin, Guo, Hua (2013) Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction. The Journal of Chemical Physics, 138 (7). 74309pp. doi:10.1063/1.4791640
In(2013, February) The Journal of Chemical Physics Vol. 138 (7) AIP Publishing

See Also

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Li, Jun, Dawes, Richard, Guo, Hua (2012) An ab initio based full-dimensional global potential energy surface for FH2O(X2A′) and dynamics for the F + H2O → HF + HO reaction. The Journal of Chemical Physics, 137 (9). 94304pp. doi:10.1063/1.4748857
Li, Jun, Guo, Hua (2015) Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction. The Journal of Chemical Physics, 143 (22). 221103pp. doi:10.1063/1.4937570
Li, Jun, Dawes, Richard, Guo, Hua (2013) Kinetic and dynamic studies of the Cl(2Pu) + H2O(X̃1A1) → HCl(X̃1Σ+) + OH(X̃2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O. The Journal of Chemical Physics, 139 (7). 74302pp. doi:10.1063/1.4817967
Li, Jun, Guo, Hua (2013) A new ab initio based global HOOH(13A″) potential energy surface for the O(3P) + H2O(X1A1) ↔ OH(X2Π) + OH(X2Π) reaction. The Journal of Chemical Physics, 138 (19). 194304pp. doi:10.1063/1.4804418
Li, Anyang, Xie, Changjian, Xie, Daiqian, Guo, Hua (2013) State-to-state quantum dynamics of the O(3P) + NH(X3Σ−) reaction on the three lowest-lying electronic states of HNO/HON. The Journal of Chemical Physics, 138 (2). 24308pp. doi:10.1063/1.4774026
Jiang, Bin, Li, Jun, Xie, Daiqian, Guo, Hua (2013) Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface. The Journal of Chemical Physics, 138 (4). 44704pp. doi:10.1063/1.4776770
Li, Jun, Jiang, Bin, Guo, Hua (2013) Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F + H2O → HF + OH. Journal Of The American Chemical Society, 135 (3) 982-985 doi:10.1021/ja311159j
Song, Hongwei, Li, Jun, Guo, Hua (2014) Mode specificity in the HF + OH → F + H2O reaction. The Journal of Chemical Physics, 141 (16). 164316pp. doi:10.1063/1.4900445
Li, Jun, Xie, Changjian, Guo, Hua (2020) Correction: Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface. Physical Chemistry Chemical Physics, 22 (7). 4276 doi:10.1039/d0cp90032j
Song, Hongwei, Li, Jun, Jiang, Bin, Yang, Minghui, Lu, Yunpeng, Guo, Hua (2014) Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction: A six-dimensional study. The Journal of Chemical Physics, 140 (8). 84307pp. doi:10.1063/1.4866426
Allen, Joshua W., Green, William H., Li, Yongle, Guo, Hua, Suleimanov, Yury V. (2013) Communication: Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 → CH3 + H2O. The Journal of Chemical Physics, 138 (22). 221103pp. doi:10.1063/1.4811329
 
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