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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 74, 1991 - Issue 2
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Original Articles

Numerical solution of the HNC equation for fluids of non-spherical particles. An efficient method with application to dipolar hard spheres

M. Kinoshita Research Section of Nuclear Chemical Engineering, Institute of Atomic Energy, Kyoto University, Uji, Kyoto, 611, Japan
&
M. Harada Research Section of Nuclear Chemical Engineering, Institute of Atomic Energy, Kyoto University, Uji, Kyoto, 611, Japan
Pages 443-464 | Received 05 Feb 1991, Accepted 20 Apr 1991, Published online: 26 Oct 2007

Citations (40)

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Read on this site (3)

KEN KUWAMOTO & MASAHIRO KINOSHITA. (2000) Interaction between solute molecules in medium density solvents. Molecular Physics 98:11, pages 725-736.
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M. Kinoshita & M. Harada. (1994) Numerical solution of the RHNC theory for water-like fluids near a macroparticle and a planar wall. Molecular Physics 81:6, pages 1473-1488.
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M. Kinoshita & M. Harada. (1993) Numerical solution of the RHNC theory for fluids of non-spherical particles near a uniform planar wall. Molecular Physics 79:1, pages 145-167.
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Articles from other publishers (37)

Yuka Nakamura, Akira Yoshimori & Ryo Akiyama. (2021) Solvation effects on diffusion processes of a macromolecule: Accuracy required for radial distribution function to calculate diffusion coefficient. The Journal of Chemical Physics 154:8.
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Masahiro KinoshitaMasahiro Kinoshita. 2021. Mechanism of Functional Expression of F1-ATPase. Mechanism of Functional Expression of F1-ATPase 71 75 .
Y. Tamura, A. Yoshimori, A. Suematsu & R. Akiyama. (2020) Reentrant crystallization of like-charged colloidal particles in an electrolyte solution: Relationship between the shape of the phase diagram and the effective potential of colloidal particles. EPL (Europhysics Letters) 129:6, pages 66001.
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Yuka Nakamura, Shota Arai, Masahiro Kinoshita, Akira Yoshimori & Ryo Akiyama. (2019) Reduced density profile of small particles near a large particle: Results of an integral equation theory with an accurate bridge function and a Monte Carlo simulation. The Journal of Chemical Physics 151:4.
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Ayumi Suematsu, Takuto Sawayama & Ryo Akiyama. (2018) Effective potential between negatively charged patches on acidic proteins immersed in various electrolyte solutions. The Journal of Chemical Physics 149:7, pages 074105.
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Tomohiko Hayashi, Masao Inoue, Satoshi Yasuda, Emanuele Petretto, Tatjana Škrbić, Achille Giacometti & Masahiro Kinoshita. (2018) Universal effects of solvent species on the stabilized structure of a protein. The Journal of Chemical Physics 149:4.
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Yuka Nakamura, Akira Yoshimori, Ryo Akiyama & Tsuyoshi Yamaguchi. (2018) Stick boundary condition at large hard sphere arising from effective attraction in binary hard-sphere mixtures. The Journal of Chemical Physics 148:12.
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Ryo Akiyama. 2018. The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery. The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery 53 67 .
A. Suematsu, A. Yoshimori & R. Akiyama. (2016) Effects of interactions between depletants in phase diagrams of binary hard-sphere systems. EPL (Europhysics Letters) 116:3, pages 38004.
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Shota Murakami & Masahiro Kinoshita. (2016) Effects of monohydric alcohols and polyols on the thermal stability of a protein. The Journal of Chemical Physics 144:12.
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Shingo Fujihara & Ryo Akiyama. (2014) Attractive interaction between macroanions mediated by multivalent cations in biological fluids. Journal of Molecular Liquids 200, pages 89-94.
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Y. Nakamura, A. Yoshimori & R. Akiyama. (2014) Effects of the solvation structure on diffusion of a large particle in a binary mixture studied by perturbation theory. Journal of Molecular Liquids 200, pages 85-88.
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Ryo Akiyama, Takumi Yamashita & Shingo Fujihara. (2014) Hidden peak of radial distribution function and effective attraction between like-charged proteins caused by translational motion of solvent molecules. Journal of Molecular Liquids 200, pages 72-76.
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R. Ishizuka & N. Yoshida. (2014) Erratum: “Application of efficient algorithm for solving six-dimensional molecular Ornstein-Zernike equation” [J. Chem. Phys. 136, 114106 (2012)]. The Journal of Chemical Physics 141:14.
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Yuka Nakamura, Akira Yoshimori & Ryo Akiyama. (2014) Perturbation Theory of Large-Particle Diffusion in a Binary Solvent Mixture. Journal of the Physical Society of Japan 83:6, pages 064601.
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Yuko Inayoshi, Akira Yoshimori & Ryo Akiyama. (2012) Perturbation Theory of Large-Particle Diffusion. Journal of the Physical Society of Japan 81:11, pages 114603.
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Yuka Nakamura, Akira Yoshimori & Ryo Akiyama. (2012) A Perturbation Theory for Friction of a Large Particle Immersed in a Binary Solvent. Journal of the Physical Society of Japan 81:Suppl.A, pages SA026.
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Ryo Akiyama & Ryo Sakata. (2011) An Integral Equation Study of Reentrant Behavior in Attractive Interactions between Like-Charged Macroions Immersed in an Electrolyte Solution. Journal of the Physical Society of Japan 80:12, pages 123602.
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Ken-ich Amano, Hiraku Oshima & Masahiro Kinoshita. (2011) Potential of mean force between a large solute and a biomolecular complex: A model analysis on protein flux through chaperonin system. The Journal of Chemical Physics 135:18.
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Liang Luo, Sabine H. L. Klapp & Xiaosong Chen. (2011) String formation and demixing in monolayers of dipolar colloidal mixtures. The Journal of Chemical Physics 135:13.
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Liang Luo & XiaoSong Chen. (2011) Chain formation in a monolayer of dipolar hard spheres under an external field. Science China Physics, Mechanics and Astronomy 54:9, pages 1555-1560.
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Liang Luo & Sabine H. L. Klapp. (2009) Fluctuations in a ferrofluid monolayer: An integral equation study. The Journal of Chemical Physics 131:3.
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M. Marucho, C. T. Kelley & B. Montgomery Pettitt. (2008) Solutions of the Optimized Closure Integral Equation Theory:  Heteronuclear Polyatomic Fluids. Journal of Chemical Theory and Computation 4:3, pages 385-396.
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M. V. Fedorov, H. -J. Flad, G. N. Chuev, L. Grasedyck & B. N. Khoromskij. (2007) A structured low-rank wavelet solver for the Ornstein-Zernike integral equation. Computing 80:1, pages 47-73.
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David L. Cheung, Lucian Anton, Michael P. Allen & Andrew J. Masters. (2006) Structure of molecular liquids: Cavity and bridge functions of the hard spheroid fluid. Physical Review E 73:6.
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Masahiro Kinoshita. (2005) Density and orientational structure of water around a hydrophobic solute: effects due to the solute size. Journal of Molecular Liquids 119:1-3, pages 47-54.
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Andriy Kovalenko. 2004. Molecular Theory of Solvation. Molecular Theory of Solvation 169 275 .
Masahiro Kinoshita. 2004. Molecular Theory of Solvation. Molecular Theory of Solvation 101 168 .
Andriy Kovalenko & Fumio Hirata. (1999) Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model. The Journal of Chemical Physics 110:20, pages 10095-10112.
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Masahiro Kinoshita, Shin-ya Iba, Ken Kuwamoto & Makoto Harada. (1996) Interaction between macroparticles in a simple model system of a nonpolar liquid containing trace amounts of water. The Journal of Chemical Physics 105:16, pages 7184-7191.
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Masahiro Kinoshita, Shin-ya Iba, Ken Kuwamoto & Makoto Harada. (1996) Interaction between macroparticles in Lennard-Jones fluids or in hard-sphere mixtures. The Journal of Chemical Physics 105:16, pages 7177-7183.
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Masahiro Kinoshita, Shin-ya Iba & Makoto Harada. (1996) Interaction between macroparticles in aqueous electrolytes. The Journal of Chemical Physics 105:6, pages 2487-2499.
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Masahiro Kinoshita & Fumio Hirata. (1996) Application of the reference interaction site model theory to analysis on surface-induced structure of water. The Journal of Chemical Physics 104:21, pages 8807-8815.
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F. Lado, E. Lomba & M. Lombardero. (1995) Integral equation algorithm for fluids of fully anisotropic molecules. The Journal of Chemical Physics 103:1, pages 481-484.
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D. R. Bérard, M. Kinoshita, X. Ye & G. N. Patey. (1995) Structure of the metal-electrolyte solution interface: Theoretical results for simple models. The Journal of Chemical Physics 102:2, pages 1024-1033.
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D. R. Bérard, M. Kinoshita, X. Ye & G. N. Patey. (1994) Structure and properties of the metal–liquid interface. The Journal of Chemical Physics 101:7, pages 6271-6280.
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Enrique Lomba, Jean-Jacques Weis, Noe G. Almarza, Fernando Bresme & George Stell. (1994) Phase transitions in a continuum model of the classical Heisenberg magnet: The ferromagnetic system. Physical Review E 49:6, pages 5169-5178.
Crossref

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