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Kosmas, A.M., Drougas, E. (1998) Quasiclassical trajectory calculations of the diatom–diatom reaction OH+Cl2→HOCl+Cl using two model potential energy surfaces. Chemical Physics, 229. 233-244 doi:10.1016/s0301-0104(97)00382-0

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Reference TypeJournal (article/letter/editorial)
TitleQuasiclassical trajectory calculations of the diatom–diatom reaction OH+Cl2→HOCl+Cl using two model potential energy surfaces
JournalChemical Physics
AuthorsKosmas, A.M.Author
Drougas, E.Author
Year1998 (April)Volume229
PublisherElsevier BV
DOIdoi:10.1016/s0301-0104(97)00382-0Search in ResearchGate
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Mindat Ref. ID5956985Long-form Identifiermindat:1:5:5956985:1
GUID0
Full ReferenceKosmas, A.M., Drougas, E. (1998) Quasiclassical trajectory calculations of the diatom–diatom reaction OH+Cl2→HOCl+Cl using two model potential energy surfaces. Chemical Physics, 229. 233-244 doi:10.1016/s0301-0104(97)00382-0
Plain TextKosmas, A.M., Drougas, E. (1998) Quasiclassical trajectory calculations of the diatom–diatom reaction OH+Cl2→HOCl+Cl using two model potential energy surfaces. Chemical Physics, 229. 233-244 doi:10.1016/s0301-0104(97)00382-0
In(n.d.) Chemical Physics Vol. 229. Elsevier BV

See Also

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Melissas, Vasilios S., Drougas, Evangelos, Bakalbassis, Evangelos G., Kosmas, Agnie M. (2000) Dynamics of the OH + Cl2→ HOCl + Cl Reaction: Ab Initio Investigation and Quasiclassical Trajectory Calculations of Reaction Selectivity. The Journal of Physical Chemistry A, 104 (3). 626-634 doi:10.1021/jp9928098
Drougas, E., Papayannis, D.K., Kosmas, A.M. (2002) Quantum mechanical and RRKM studies of the reactions CH3+ClO→CH3O+Cl and CH3O+Cl→HCHO+HCl. Chemical Physics, 276. 15-23 doi:10.1016/s0301-0104(01)00548-1
Shen, Changsheng, Wu, Tao, Ju, Guanzhi, Bian, Wensheng (2001) Cl+HD reaction dynamics from quasiclassical trajectory calculation on a new ab initio potential energy surface. Chemical Physics, 272. 61-68 doi:10.1016/s0301-0104(01)00445-1
Drougas, E., Kosmas, A.M. (2003) Quantum mechanical studies on the potential energy surface of the reactions CH3+OClO, CH3O+ClO and CH3O2+Cl. Chemical Physics Letters, 369. 269-274 doi:10.1016/s0009-2614(02)01981-4
Persky, Avigdor, Kornweitz, Haya (1986) Oscillating reactivity in quasiclassical trajectory calculations for the reaction O(3P) + HC1 → OH + Cl. Chemical Physics Letters, 127. 609-614 doi:10.1016/0009-2614(86)80617-0
Hochman-Kowal, Sipora, Persky, Avigdor (1997) Quasiclassical trajectory study of the effect of rotation on reactivity for the reactions D + H2, H + HD and H + D2 on the LSTH and DMBE potential energy surfaces. Chemical Physics, 222. 29-41 doi:10.1016/s0301-0104(97)00180-8
Papayannis, Demetrios K., Drougas, Evangelos, Kosmas, Agnie M. (2002) Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OH. Chemical Physics, 282. 305-314 doi:10.1016/s0301-0104(02)00720-6
Papayannis, Demetrios, Kosmas, Agnie M., Melissas, Vasilios S. (1999) Ab initio calculations for (BrO)2 system and quasiclassical dynamics study of BrO self-reaction. Chemical Physics, 243. 249-262 doi:10.1016/s0301-0104(99)00070-1
Tanimura, Yoshitaka (1998) Fifth-order two-dimensional vibrational spectroscopy of a Morse potential system in condensed phases. Chemical Physics, 233. 217-229 doi:10.1016/s0301-0104(98)00010-x
Varandas, A.J.C. (1982) Quasiclassical trajectory calculations for H + H2 (ν = 0, 1) on a potential energy surface from force field data. Chemical Physics, 69. 295-304 doi:10.1016/0301-0104(82)88069-5
Kosmas, A.M., Williams, R.J. (1990) A classical trajectory study of the O(3P)+I2 reaction. Chemical Physics, 140. 413-420 doi:10.1016/0301-0104(90)80007-k
 
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