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Volumn 131, Issue 3, 2009, Pages

Structure of liquid n -hexane

Author keywords

[No Author keywords available]

Indexed keywords

DEUTERATED LIQUIDS; DIFFERENTIAL CROSS SECTION; EXPERIMENTAL DATA; MOLECULAR CONFIGURATIONS; MOLECULAR DYNAMICS SIMULATIONS; N-HEXANE; ROOM TEMPERATURE; SIMULATED DATA; SIMULATION RESULT; STRUCTURE OF LIQUIDS;

EID: 67651163798     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3176413     Document Type: Article
Times cited : (12)

References (42)
  • 1
    • 0040808642 scopus 로고
    • 0096-8250,. 10.1103/PhysRev.32.153
    • G. W. Stewart, Phys. Rev. 0096-8250 32, 153 (1928). 10.1103/PhysRev.32. 153
    • (1928) Phys. Rev. , vol.32 , pp. 153
    • Stewart, G.W.1
  • 2
    • 0001733215 scopus 로고
    • 0002-7863, () 10.1021/ja01523a001;, J. Am. Chem. Soc. 0002-7863 81, 4765 (1959). 10.1021/ja01527a002
    • R. A. Bonham and L. S. Bartell, J. Am. Chem. Soc. 0002-7863 81, 3491 (1959) 10.1021/ja01523a001; R. A. Bonham, L. S. Bartell, and D. A. Kohl, J. Am. Chem. Soc. 0002-7863 81, 4765 (1959). 10.1021/ja01527a002
    • (1959) J. Am. Chem. Soc. , vol.81 , pp. 3491
    • Bonham, R.A.1    Bartell, L.S.2    Bonham, R.A.3    Bartell, L.S.4    Kohl, D.A.5
  • 3
    • 0001601099 scopus 로고
    • 0021-9606,. 10.1063/1.1734149
    • L. S. Bartell and D. A. Kohl, J. Chem. Phys. 0021-9606 39, 3097 (1963). 10.1063/1.1734149
    • (1963) J. Chem. Phys. , vol.39 , pp. 3097
    • Bartell, L.S.1    Kohl, D.A.2
  • 4
    • 0001532971 scopus 로고
    • 0009-2673,. 10.1246/bcsj.32.748
    • K. Kuchitsu, Bull. Chem. Soc. Jpn. 0009-2673 32, 748 (1959). 10.1246/bcsj.32.748
    • (1959) Bull. Chem. Soc. Jpn. , vol.32 , pp. 748
    • Kuchitsu, K.1
  • 8
    • 0000239193 scopus 로고
    • 0021-9606, () 10.1063/1.451516;, J. Chem. Phys. 0021-9606 91, 4299 (1989). 10.1063/1.456810
    • A. Habenschuss and H. Narten, J. Chem. Phys. 0021-9606 85, 6022 (1986) 10.1063/1.451516; A. Habenschuss and H. Narten, J. Chem. Phys. 0021-9606 91, 4299 (1989). 10.1063/1.456810
    • (1986) J. Chem. Phys. , vol.85 , pp. 6022
    • Habenschuss, A.1    Narten, H.2    Habenschuss, A.3    Narten, H.4
  • 10
    • 0001176618 scopus 로고
    • 0026-8976,. 10.1080/00268979200103091
    • A. K. Adya and C. J. Wormald, Mol. Phys. 0026-8976 77, 1217 (1992). 10.1080/00268979200103091
    • (1992) Mol. Phys. , vol.77 , pp. 1217
    • Adya, A.K.1    Wormald, C.J.2
  • 13
    • 0034271960 scopus 로고    scopus 로고
    • Structure of liquid and supercritical benzene as studied by neutron diffraction and molecular dynamics
    • DOI 10.1063/1.1287787
    • T. Tassaing, M. I. Caba̧o, Y. Danten, and M. Besnard, J. Chem. Phys. 0021-9606 113, 3757 (2000). 10.1063/1.1287787 (Pubitemid 30936956)
    • (2000) Journal of Chemical Physics , vol.113 , Issue.9 , pp. 3757-3765
    • Tassaing, T.1    Cabaco, M.I.2    Danten, Y.3    Besnard, M.4
  • 16
    • 35348989188 scopus 로고    scopus 로고
    • Inelastic neutron scattering and molecular dynamics determination of the interaction potential in liquid CD4
    • DOI 10.1103/PhysRevLett.99.167801
    • E. Guarini, M. Sampoli, G. Venturi, U. Bafile, and F. Barocchi, Phys. Rev. Lett. 0031-9007 99, 167801 (2007). 10.1103/PhysRevLett.99.167801 (Pubitemid 47613327)
    • (2007) Physical Review Letters , vol.99 , Issue.16 , pp. 167801
    • Guarini, E.1    Sampoli, M.2    Venturi, G.3    Bafile, U.4    Barocchi, F.5
  • 20
    • 84915486634 scopus 로고
    • 1044-8632,. 10.1080/10448639208218770
    • V. F. Sears, Neutron News 1044-8632 3, 26 (1992). 10.1080/ 10448639208218770
    • (1992) Neutron News , vol.3 , pp. 26
    • Sears, V.F.1
  • 21
    • 0021515659 scopus 로고
    • 0002-7863,. 10.1021/ja00334a030
    • W. Jorgensen, J. Am. Chem. Soc. 0002-7863 106, 6638 (1984). 10.1021/ja00334a030
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 6638
    • Jorgensen, W.1
  • 23
    • 0000921686 scopus 로고
    • 0021-9606, () 10.1063/1.469563;, J. Chem. Phys. 0021-9606 109, 352(E) (1998). 10.1063/1.476536
    • B. Smit, S. Karaboni, and J. I. Siepmann, J. Chem. Phys. 0021-9606 102, 2126 (1995) 10.1063/1.469563; B. Smit, S. Karaboni, and J. I. Siepmann, J. Chem. Phys. 0021-9606 109, 352(E) (1998). 10.1063/1.476536
    • (1995) J. Chem. Phys. , vol.102 , pp. 2126
    • Smit, B.1    Karaboni, S.2    Siepmann, J.I.3    Smit, B.4    Karaboni, S.5    Siepmann, J.I.6
  • 25
    • 0001189010 scopus 로고    scopus 로고
    • 1089-5647,. 10.1021/jp980939v
    • H. Sun, J. Phys. Chem. B 1089-5647 102, 7338 (1998). 10.1021/jp980939v
    • (1998) J. Phys. Chem. B , vol.102 , pp. 7338
    • Sun, H.1
  • 26
    • 84996194007 scopus 로고
    • 1478-6435,. 10.1080/14786436508211931
    • T. E. Faber and J. M. Ziman, Philos. Mag. 1478-6435 11, 153 (1965). 10.1080/14786436508211931
    • (1965) Philos. Mag. , vol.11 , pp. 153
    • Faber, T.E.1    Ziman, J.M.2
  • 30
    • 0141917879 scopus 로고    scopus 로고
    • in, NIST Standard Reference Database Vol., edited by P. J. Linstrom and W. G. Mallard (National Institute of Standards and Technology, Gaithersburg, MD).
    • E. W. Lemmon, M. O. McLinden, and D. G. Friend, in NIST Chemistry WebBook, NIST Standard Reference Database Vol. 69, edited by, P. J. Linstrom, and, W. G. Mallard, (National Institute of Standards and Technology, Gaithersburg, MD, 2008).
    • (2008) NIST Chemistry WebBook , vol.69
    • Lemmon, E.W.1    McLinden, M.O.2    Friend, D.G.3
  • 31
    • 36149015683 scopus 로고
    • 0096-8250,. 10.1103/PhysRev.86.377
    • G. Placzek, Phys. Rev. 0096-8250 86, 377 (1952). 10.1103/PhysRev.86.377
    • (1952) Phys. Rev. , vol.86 , pp. 377
    • Placzek, G.1
  • 32
    • 67651165827 scopus 로고    scopus 로고
    • Computer Code CORRECT: Correction Program for neutron diffraction data, NFL Studsvik internal report.
    • M. A. Howe, R. L. McGreevy, and P. Zetterström, Computer Code CORRECT: Correction Program for neutron diffraction data, NFL Studsvik internal report, 1996.
    • (1996)
    • Howe, M.A.1    McGreevy, R.L.2    Zetterström, P.3
  • 33
    • 85013581708 scopus 로고    scopus 로고
    • A similar method was applied in, 1023-8166,. 10.1080/10238169608200198
    • A similar method was applied in U. Bafile, M. Zoppi, R. Magli, E. Guarini, and F. Barocchi, J. Neutron Res. 1023-8166 3, 241 (1996). 10.1080/10238169608200198
    • (1996) J. Neutron Res. , vol.3 , pp. 241
    • Bafile, U.1    Zoppi, M.2    Magli, R.3    Guarini, E.4    Barocchi, F.5
  • 34
    • 44649102733 scopus 로고    scopus 로고
    • Structure factor determination of amorphous materials by neutron diffraction
    • DOI 10.1088/0953-8984/20/24/244109, PII S0953898408743960
    • G. J. Cuello, J. Phys.: Condens. Matter 0953-8984 20, 244109 (2008). 10.1088/0953-8984/20/24/244109 (Pubitemid 351777655)
    • (2008) Journal of Physics Condensed Matter , vol.20 , Issue.24 , pp. 244109
    • Cuello, G.J.1
  • 35
    • 67651145581 scopus 로고    scopus 로고
    • See EPAPS supplementary material at E-JCPSA6-131-036928 for the values of the differential cross section of liquid hexane at atmospheric pressure and 297 K at 0
    • See EPAPS supplementary material at http://dx.doi.org/10.1063/1.3176413 E-JCPSA6-131-036928 for the values of the differential cross section of liquid hexane at atmospheric pressure and 297 K at 0
  • 36
    • 15344349617 scopus 로고    scopus 로고
    • 0584-8539, () 10.1016/S1386-1425(97)00013-9;, Polym. Int. 0959-8103 44, 311 (1997) 10.1002/(SICI)1097-0126(199711)44:3<311::AID-PI880>3.0.CO;2-H;, Comput. Theor. Polym. Sci. 1089-3156 8, 229 (1998). 10.1016/S1089-3156(98) 00042-7
    • H. Sun and B. Rigby, Spectrochim. Acta, Part A 0584-8539 53, 1301 (1997) 10.1016/S1386-1425(97)00013-9; B. Rigby, H. Sun, and B. E. Heichinger, Polym. Int. 0959-8103 44, 311 (1997) 10.1002/(SICI)1097-0126(199711)44:3<311::AID- PI880>3.0.CO;2-H; H. Sun, J. R. Fried, and P. Ren, Comput. Theor. Polym. Sci. 1089-3156 8, 229 (1998). 10.1016/S1089-3156(98)00042-7
    • (1997) Spectrochim. Acta, Part A , vol.53 , pp. 1301
    • Sun, H.1    Rigby, B.2    Rigby, B.3    Sun, H.4    Heichinger, B.E.5    Sun, H.6    Fried, J.R.7    Ren, P.8
  • 40
    • 4344576804 scopus 로고    scopus 로고
    • 0022-3654,. 10.1021/jp960413f
    • G. D. Smith and R. L. Jaffe, J. Phys. Chem. 0022-3654 100, 18718 (1996). 10.1021/jp960413f
    • (1996) J. Phys. Chem. , vol.100 , pp. 18718
    • Smith, G.D.1    Jaffe, R.L.2
  • 41
    • 67651157966 scopus 로고    scopus 로고
    • A more refined correction of the Debye-Waller effect has been also done in Refs. where a variable root mean square deviation ui j, treated as adjustable parameter, was used. An analogous procedure applied to our data using the uij values for the carbon-carbon pairs given in Ref. did not lead to any significative variation in the damped differential cross section.
    • A more refined correction of the Debye-Waller effect has been also done in Refs. where a variable root mean square deviation ui j,treated as adjustable parameter, was used. An analogous procedure applied to our data using the ui j values for the carbon-carbon pairs given in Ref. did not lead to any significative variation in the damped differential cross section.


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