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Tachikawa, Hiroto (2005) SN2 and SN2′ reaction dynamics of cyclopropenyl chloride with halide ion — A direct ab initio molecular dynamics (MD) study. Canadian Journal of Chemistry, 83 (9). 1597-1605 doi:10.1139/v05-176

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Reference TypeJournal (article/letter/editorial)
TitleSN2 and SN2′ reaction dynamics of cyclopropenyl chloride with halide ion — A direct ab initio molecular dynamics (MD) study
JournalCanadian Journal of Chemistry
AuthorsTachikawa, HirotoAuthor
Year2005 (September 1)Volume83
Issue9
PublisherCanadian Science Publishing
DOIdoi:10.1139/v05-176Search in ResearchGate
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Mindat Ref. ID8325367Long-form Identifiermindat:1:5:8325367:2
GUID0
Full ReferenceTachikawa, Hiroto (2005) SN2 and SN2′ reaction dynamics of cyclopropenyl chloride with halide ion — A direct ab initio molecular dynamics (MD) study. Canadian Journal of Chemistry, 83 (9). 1597-1605 doi:10.1139/v05-176
Plain TextTachikawa, Hiroto (2005) SN2 and SN2′ reaction dynamics of cyclopropenyl chloride with halide ion — A direct ab initio molecular dynamics (MD) study. Canadian Journal of Chemistry, 83 (9). 1597-1605 doi:10.1139/v05-176
In(2005, September) Canadian Journal of Chemistry Vol. 83 (9) Canadian Science Publishing

See Also

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Tachikawa, Hiroto (2006) Intramolecular SN2 Reaction Caused by Photoionization of Benzene Chloride−NH3Complex:  Direct ab Initio Molecular Dynamics Study. The Journal of Physical Chemistry A, 110 (1). 153-159 doi:10.1021/jp0550659
Tachikawa, Hiroto (2006) Direct ab initio molecular dynamics study on a microsolvated SN2 reaction of OH−(H2O) with CH3Cl. The Journal of Chemical Physics, 125 (13). 133119pp. doi:10.1063/1.2229208
Tachikawa, Hiroto (2000) Direct Ab Initio Dynamics Study on a Gas Phase Microsolvated SN2 Reaction of F-(H2O) with CH3Cl. The Journal of Physical Chemistry A, 104 (3). 497-503 doi:10.1021/jp993066t
Tachikawa, Hiroto, Igarashi, Manabu (2006) Direct ab initio molecular dynamics study on a SN2 reaction OH−+CH3Cl→CH3OH+Cl−: Effect of non-zero impact parameter on the reaction dynamics. Chemical Physics, 324. 639-646 doi:10.1016/j.chemphys.2005.12.002
Tachikawa, Hiroto (2001) Collision Energy Dependence on the Microsolvated SN2 Reaction of F-(H2O) with CH3Cl:  A Full Dimensional Ab Initio Direct Dynamics Study. The Journal of Physical Chemistry A, 105 (8). 1260-1266 doi:10.1021/jp003252v
Tachikawa, Hiroto, Igarashi, Manabu (1999) A direct ab-initio dynamics study on a gas phase SN2 reaction F−+CH3Cl → CH3F+Cl−: dynamics of near-collinear collision. Chemical Physics Letters, 303. 81-86 doi:10.1016/s0009-2614(99)00212-2
Tachikawa, Hiroto, Fukuzumi, Takahiro (2011) Ionization dynamics of aminopyridine dimer: a direct ab initio molecular dynamics (MD) study. Physical Chemistry Chemical Physics, 13 (13). 5881pp. doi:10.1039/c0cp01542c
Tachikawa, Hiroto, Takada, Tomoya (2013) Ionization dynamics of the water trimer: A direct ab initio MD study. Chemical Physics, 415. 76-83 doi:10.1016/j.chemphys.2012.12.027
Tachikawa, Hiroto (2012) Direct ab initio molecular dynamics (MD) study of the ionization on a benzene dimer. RSC Advances, 2 (17). 6897pp. doi:10.1039/c2ra20246h
Tachikawa, Hiroto, Igarashi, Manabu, Ishibashi, Teruo (2002) A Direct ab Initio Trajectory Study on the Gas-Phase SN2 Reaction OH-+ CH3Cl → CH3OH + Cl-. The Journal of Physical Chemistry A, 106 (46). 10977-10984 doi:10.1021/jp0210632
Tachikawa, Hiroto (2019) Activation of CO2 in Photoirradiated CO2–H2O Clusters: Direct Ab Initio Molecular Dynamics (MD) Study. The Journal of Physical Chemistry A, 123 (22). 4743-4749 doi:10.1021/acs.jpca.9b03823
 
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