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Takayanagi, Toshiyuki (2007) Theoretical study of the H+Br2 and Mu+Br2 reactions: A new ab initio potential energy surface and quantum dynamics calculations. Chemical Physics, 334. 109-116 doi:10.1016/j.chemphys.2007.02.017

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical study of the H+Br2 and Mu+Br2 reactions: A new ab initio potential energy surface and quantum dynamics calculations
JournalChemical Physics
AuthorsTakayanagi, ToshiyukiAuthor
Year2007 (April)Volume334
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.02.017Search in ResearchGate
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Mindat Ref. ID5961100Long-form Identifiermindat:1:5:5961100:2
GUID0
Full ReferenceTakayanagi, Toshiyuki (2007) Theoretical study of the H+Br2 and Mu+Br2 reactions: A new ab initio potential energy surface and quantum dynamics calculations. Chemical Physics, 334. 109-116 doi:10.1016/j.chemphys.2007.02.017
Plain TextTakayanagi, Toshiyuki (2007) Theoretical study of the H+Br2 and Mu+Br2 reactions: A new ab initio potential energy surface and quantum dynamics calculations. Chemical Physics, 334. 109-116 doi:10.1016/j.chemphys.2007.02.017
In(n.d.) Chemical Physics Vol. 334. Elsevier BV

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Tanaka, Tomokazu, Takayanagi, Toshiyuki (2010) Quantum reactive scattering calculations of H+F2 and Mu+F2 reactions on a new ab initio potential energy surface. Chemical Physics Letters, 496. 248-253 doi:10.1016/j.cplett.2010.07.070
Sato, Kazuma, Takayanagi, Toshiyuki (2014) Construction of global ab initio potential energy surfaces for the HNS system and quantum dynamics calculations for the S(3P)+NH(X3Σ)→NS(X2Π)+H(2S) and N(4S)+SH(X2Π)→NS(X2Π)+H(2S) reactions. Chemical Physics, 439. 63-70 doi:10.1016/j.chemphys.2014.05.009
Tokizaki, Chihiro, Yoshida, Takahiko, Takayanagi, Toshiyuki (2016) Quantum transition state dynamics of the cyclooctatetraene unimolecular reaction on ab initio potential energy surfaces. Chemical Physics, 469. 97-104 doi:10.1016/j.chemphys.2016.02.005
Tanaka, Tomokazu, Takayanagi, Toshiyuki (2011) Quantum dynamics study of the X+F2 and F+XF (X=Mu, H, and D) reactions. Chemical Physics, 390. 60-67 doi:10.1016/j.chemphys.2011.10.007
Takayanagi, Toshiyuki (2005) Reduced-dimensionality quantum reactive scattering calculations of the C(3P)+C2H2 reaction on a new potential energy surface. Chemical Physics, 312. 61-67 doi:10.1016/j.chemphys.2004.11.026
Wada, Youichi, Takayanagi, Toshiyuki, Umemoto, Hironobu, Tsunashima, Shigeru, Sato, Shin (1991) Temperature dependence of the rate constants for the H+Br2 and D+Br2 reactions. The Journal of Chemical Physics, 94 (7). 4896-4899 doi:10.1063/1.460574
Takayanagi, Toshiyuki, Wada, Akira (2001) Reduced dimensionality quantum reactive scattering calculations on the ab initio potential energy surface for the O()+N2O→NO+NO reaction. Chemical Physics, 269. 37-47 doi:10.1016/s0301-0104(01)00357-3
Takayanagi, Toshiyuki (2003) Ab initio calculations of low-lying potential energy surfaces of the HHeF system. Chemical Physics Letters, 371. 675-680 doi:10.1016/s0009-2614(03)00350-6
Pathak, A. K., Mukherjee, T., Maity, D. K. (2006) A comparative ab initio study of Br2•− and Br2 water clusters. The Journal of Chemical Physics, 124 (2). 24322pp. doi:10.1063/1.2151177
Takayanagi, Toshiyuki, Kurosaki, Yuzuru (1997) Theoretical Calculations of Potential Energy Surface and Thermal Rate Constants for the H(Mu) + F2Reaction. The Journal of Physical Chemistry A, 101 (38). 7098-7104 doi:10.1021/jp971395k
Shang, Chenyao, Chen, Jun, Xu, Xin, Liu, Shu, Li, Liucheng, Duo, Liping, Zhang, Dong H. (2021) Quantum Wave Packet Study of the H + Br2 → HBr + Br Reaction on a New Ab Initio Potential Energy Surface. The Journal of Physical Chemistry A, 125 (33) 7289-7296 doi:10.1021/acs.jpca.1c05867
 
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