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Banks, Simon T., Clary, David C. (2007) Reduced dimensionality quantum dynamics of Cl + CH4? HCl + CH3 on an ab initio potential. Physical Chemistry Chemical Physics, 9 (8). 933pp. doi:10.1039/b615460c

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Reference TypeJournal (article/letter/editorial)
TitleReduced dimensionality quantum dynamics of Cl + CH4? HCl + CH3 on an ab initio potential
JournalPhysical Chemistry Chemical Physics
AuthorsBanks, Simon T.Author
Clary, David C.Author
Year2007Volume9
Issue8
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/b615460cSearch in ResearchGate
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Mindat Ref. ID4010304Long-form Identifiermindat:1:5:4010304:2
GUID0
Full ReferenceBanks, Simon T., Clary, David C. (2007) Reduced dimensionality quantum dynamics of Cl + CH4? HCl + CH3 on an ab initio potential. Physical Chemistry Chemical Physics, 9 (8). 933pp. doi:10.1039/b615460c
Plain TextBanks, Simon T., Clary, David C. (2007) Reduced dimensionality quantum dynamics of Cl + CH4? HCl + CH3 on an ab initio potential. Physical Chemistry Chemical Physics, 9 (8). 933pp. doi:10.1039/b615460c
In(2007) Physical Chemistry Chemical Physics Vol. 9 (8) Royal Society of Chemistry (RSC)

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Remmert, Sarah M., Banks, Simon T., Clary, David C. (2009) Reduced Dimensionality Quantum Dynamics of CH3+ CH4→ CH4+ CH3: Symmetric Hydrogen Exchange on an Ab Initio Potential†. The Journal of Physical Chemistry A, 113 (16). 4255-4264 doi:10.1021/jp810803k
Remmert, Sarah M., Banks, Simon T., Harvey, Jeremy N., Orr-Ewing, Andrew J., Clary, David C. (2011) Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces. The Journal of Chemical Physics, 134 (20). 204311pp. doi:10.1063/1.3592732
Banks, Simon T., Tautermann, Christofer S., Remmert, Sarah M., Clary, David C. (2009) An improved treatment of spectator mode vibrations in reduced dimensional quantum dynamics: Application to the hydrogen abstraction reactions μ+CH4, H+CH4, D+CH4, and CH3+CH4. The Journal of Chemical Physics, 131 (4). 44111pp. doi:10.1063/1.3177380
Clary, David C. (1999) Quantum dynamics of the O(3P)+CH4→CH3+OH reaction. Physical Chemistry Chemical Physics, 1 (6). 1173-1179 doi:10.1039/a808184k
Nyman, Gunnar, Yu, Hua-Gen, Walker, Robert B. (1998) Reduced dimensionality quantum scattering calculations on the Cl+CH4→HCl+CH3 reaction. The Journal of Chemical Physics, 109 (14). 5896-5904 doi:10.1063/1.477212
Liu, Yang, Li, Jun (2020) An accurate potential energy surface and ring polymer molecular dynamics study of the Cl + CH4 → HCl + CH3 reaction. Physical Chemistry Chemical Physics, 22 (1). 344-353 doi:10.1039/c9cp05693a
Banks, Simon T., Clary, David C. (2009) Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H+CH4⇌H2+CH3. The Journal of Chemical Physics, 130 (2). 24106pp. doi:10.1063/1.3052076
Palma, Juliana, Clary, David C. (2001) Improving reduced dimensionality quantum reaction dynamics with a generalized transition state. Application to CH4+O(3P). The Journal of Chemical Physics, 115 (5). 2188-2197 doi:10.1063/1.1383794
Czakó, Gábor, Bowman, Joel M. (2012) Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Cl(2P, 2P3/2) + CH4 → HCl + CH3 and H + CH3Cl reactions. The Journal of Chemical Physics, 136 (4). 44307pp. doi:10.1063/1.3679014
Troya, Diego, Millán, Judith, Baños, Irene, González, Miguel (2002) Ab initio, kinetics, and dynamics study of Cl+CH4→HCl+CH3. The Journal of Chemical Physics, 117 (12). 5730-5741 doi:10.1063/1.1497681
Shan, Xiao, Clary, David C. (2013) A reduced dimensionality quantum mechanical study of the H + HCF3 ↔ H2 + CF3 reaction. Physical Chemistry Chemical Physics, 15 (42). 18530pp. doi:10.1039/c3cp52170b
 
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