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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 74, 1991 - Issue 4
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Original Articles

First direct observation of orientationally correlated molecules in CO2(l) by neutron diffraction

Ashok K. Adya School of Chemistry, University of Bristol, Cantocks Close, Bristol, BS8 1TS, England, UK
&
Christopher J. Wormald School of Chemistry, University of Bristol, Cantocks Close, Bristol, BS8 1TS, England, UK
Pages 735-746 | Received 11 Mar 1991, Accepted 04 Jul 1991, Published online: 23 Aug 2006

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P. CIPRIANI, M. NARDONE, F.P. RICCI & M.A. RICCI. (2001) Orientational correlations in liquid and supercritical CO2: neutron diffraction experiments and molecular dynamics simulations. Molecular Physics 99:4, pages 301-308.
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By M. I. CABACO, Y. DANTEN & M. BESNARD Y. GUISSANI and B. GUILLOT. (1997) Structural studies of liquid cyclopropane: from room temperature up to supercritical conditions. Molecular Physics 90:5, pages 829-840.
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S. CHIAPPINI. (1996) Neutron diffraction measurements on high pressure supercritical CO2. Molecular Physics 89:4, pages 975-987.
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AshokK. Adya & ChristopherJ. Wormald. (1993) Excess intermolecular structure and pair correlation functions in liquid mixtures 0·5 CO2 + 0·5 C2D4 and 0·5 CO2 + 0·5 C2D6 by neutron diffraction. Molecular Physics 78:5, pages 1075-1095.
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AshokK. Adya & ChristopherJ. Wormald. (1992) Intra and intermolecular structure in the condensed phases of ethylene, ethane and carbon dioxide by neutron diffraction. Molecular Physics 77:6, pages 1217-1246.
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Articles from other publishers (29)

Gaoliang Liao, Yuntao Du, Feng Zhang & Jiaqiang E. (2023) Comprehensive review on physical properties of supercritical carbon dioxide calculated by molecular simulation. Korean Journal of Chemical Engineering 40:1, pages 11-36.
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Konstantinos L. Stefanopoulos, Christos Tampaxis, Andreas A. Sapalidis, Fotios K. Katsaros, Tristan G.A. Youngs, Daniel T. Bowron & Theodore A. Steriotis. (2020) Total neutron scattering study of supercooled CO2 confined in an ordered mesoporous carbon. Carbon 167, pages 296-306.
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F. Datchi, G. Weck, A. M. Saitta, Z. Raza, G. Garbarino, S. Ninet, D. K. Spaulding, J. A. Queyroux & M. Mezouar. (2016) Structure of liquid carbon dioxide at pressures up to 10 GPa. Physical Review B 94:1.
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. 2016. Nanoporous Materials. Nanoporous Materials 179 234 .
K. L. Stefanopoulos, F. K. Katsaros, Th. A. Steriotis, A. A. Sapalidis, M. Thommes, D. T. Bowron & T. G. A. Youngs. (2016) Anomalous Depletion of Pore-Confined Carbon Dioxide upon Cooling below the Bulk Triple Point: An In Situ Neutron Diffraction Study . Physical Review Letters 116:2.
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Benedito J. Costa Cabral, Roberto Rivelino, Kaline Coutinho & Sylvio Canuto. (2015) A first principles approach to the electronic properties of liquid and supercritical CO2. The Journal of Chemical Physics 142:2.
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Hsiu-Wen Wang, Victor R. Fanelli, Helmut M. Reiche, Eric Larson, Mark A. Taylor, Hongwu Xu, Jinlong Zhu, Joan Siewenie & Katharine Page. (2014) Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: Probing atomic structure in situ. Review of Scientific Instruments 85:12, pages 125116.
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K L Stefanopoulos, Th A Steriotis, F K Katsaros, N K Kanellopoulos, A C Hannon & J D F Ramsay. (2012) Structural study of supercritical carbon dioxide confined in nanoporous silica by in situ neutron diffraction . Journal of Physics: Conference Series 340, pages 012049.
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F K Katsaros, Th A Steriotis, K L Stefanopoulos, N K Kanellopoulos, A C Hannon & J D F Ramsay. (2012) Structural characterisation of subcritical carbon dioxide confined in nanoporous carbon by in situ neutron diffraction . Journal of Physics: Conference Series 340, pages 012046.
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Inmaculada Velasco, Clara Rivas, José F. Martínez-López, Sofía T. Blanco, Santos Otín & Manuela Artal. (2011) Accurate Values of Some Thermodynamic Properties for Carbon Dioxide, Ethane, Propane, and Some Binary Mixtures. The Journal of Physical Chemistry B 115:25, pages 8216-8230.
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Marco Sampoli, Ubaldo Bafile, Eleonora Guarini & Fabrizio Barocchi. (2009) Collective dynamics and molecular interactions in liquid by inelastic neutron scattering and computer simulations . Physical Review B 79:21.
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Kelly E. Anderson, Steven L. Mielke, J. Ilja Siepmann & Donald G. Truhlar. (2009) Bond Angle Distributions of Carbon Dioxide in the Gas, Supercritical, and Solid Phases. The Journal of Physical Chemistry A 113:10, pages 2053-2059.
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E. Guarini, M. Sampoli, U. Bafile, F. Formisano, M. Jiménez-Ruiz, A. Orecchini, G. Venturi & F. Barocchi. (2008) Picosecond dynamics of gas-phase dimers in liquid carbon dioxide. Chemical Physics Letters 464:4-6, pages 177-180.
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Th. A. Steriotis, K. L. Stefanopoulos, F. K. Katsaros, R. Gläser, A. C. Hannon & J. D. F. Ramsay. (2008) In situ neutron diffraction study of adsorbed carbon dioxide in a nanoporous material: Monitoring the adsorption mechanism and the structural characteristics of the confined phase . Physical Review B 78:11.
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L Temleitner & L Pusztai. (2007) Orientational correlations in liquid, supercritical and gaseous carbon dioxide. Journal of Physics: Condensed Matter 19:33, pages 335203.
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Zhigang Zhang & Zhenhao Duan. (2005) An optimized molecular potential for carbon dioxide. The Journal of Chemical Physics 122:21.
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Th.A Steriotis, K.L Stefanopoulos, N.K Kanellopoulos, A.Ch Mitropoulos & A Hoser. (2004) The structure of adsorbed CO2 in carbon nanopores: a neutron diffraction study. Colloids and Surfaces A: Physicochemical and Engineering Aspects 241:1-3, pages 239-244.
Crossref
T. Tassaing, M. I. Cabaço, Y. Danten & M. Besnard. (2000) The structure of liquid and supercritical benzene as studied by neutron diffraction and molecular dynamics. The Journal of Chemical Physics 113:9, pages 3757-3765.
Crossref
Gerold Steinebrunner, Anthony J. Dyson, Barbara Kirchner & Hanspeter Huber. (1998) Structural and thermodynamic properties of fluid carbon dioxide from a new ab initio potential energy surface . The Journal of Chemical Physics 109:8, pages 3153-3160.
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P. Cipriani, M. Nardone & F.P. Ricci. (1997) Neutron diffraction measurements on CO2 in both undercritical and supercritical states. Physica B: Condensed Matter 241-243, pages 940-946.
Crossref
Takeshi Morita, Keiko Nishikawa, Masakazu Takematsu, Hanae Iida & Seiya Furutaka. (1997) Structure Study of Supercritical CO 2 near Higher-Order Phase Transition Line by X-ray Diffraction . The Journal of Physical Chemistry B 101:36, pages 7158-7162.
Crossref
I. I. Fedchenia & J. Schröder. (1997) Local orientational correlations and short time anisotropic motion in molecular liquids: Computer simulations of liquid CO2. The Journal of Chemical Physics 106:18, pages 7749-7755.
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G. W. Neilson & A. K. Adya. (1997) Chapter 4. Neutron diffraction studies on liquids. Annual Reports Section "C" (Physical Chemistry) 93, pages 101.
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Marc Welker, Gerold Steinebrunner, Jan Solca & Hanspeter Huber. (1996) Ab initio calculation of the intermolecular potential energy surface of (CO2)2 and first applications in simulations of fluid CO2. Chemical Physics 213:1-3, pages 253-261.
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Ryo Ishii, Susumu Okazaki, Isao Okada, Michihiro Furusaka, Noboru Watanabe, Masakatsu Misawa & Toshiharu Fukunaga. (1996) Density dependence of structure of supercritical carbon dioxide along an isotherm. The Journal of Chemical Physics 105:16, pages 7011-7021.
Crossref
Susumu Okazaki, Masayuki Matsumoto, Isao Okada, Katsutoshi Maeda & Yosuke Kataoka. (1995) Density dependence of rotational relaxation of supercritical CF3H. The Journal of Chemical Physics 103:19, pages 8594-8601.
Crossref
Ryo Ishii, Susumu Okazaki, Isao Okada, Michihiro Furusaka, Noboru Watanabe, Masakatsu Misawa & Toshiharu Fukunaga. (1995) A neutron scattering study of the structure of supercritical carbon dioxide. Chemical Physics Letters 240:1-3, pages 84-88.
Crossref
Ryo Ishii, Susumu Okazaki, Osamu Odawara, Isao Okada, Masakatsu Misawa & Toshiharu Fukunaga. (1995) Structural study of supercritical carbon dioxide by neutron diffraction. Fluid Phase Equilibria 104, pages 291-304.
Crossref
Gaoliang Liao, Yuntao Du, feng zhang & Jiaqiang E. (2022) The Applications of Molecular Dynamics Simulation in Supercritical Carbon Dioxide: A Review. SSRN Electronic Journal.
Crossref

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