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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 41, 1980 - Issue 5
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Original Articles

Pseudo-spectral dipole oscillator strength distributions for the normal alkanes through octane and the evaluation of some related dipole-dipole and triple-dipole dispersion interaction energy coefficients

B.L. Jhanwar Department of Chemistry, University of Western Ontario, London, Canada, N6A 5B7View further author information
&
William J. Meath Department of Chemistry, University of Western Ontario, London, Canada, N6A 5B7View further author information
Pages 1061-1070 | Received 22 May 1980, Published online: 22 Aug 2006

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Richard J. Wheatley & Timothy C. Lillestolen. (2008) Local polarizabilities and dispersion energy coefficients. Molecular Physics 106:12-13, pages 1545-1556.
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Ashok Kumar & William J. Meath . (2008) Dipole oscillator strength distributions, properties and dispersion energies for the dimethyl, diethyl and methyl–propyl ethers. Molecular Physics 106:12-13, pages 1531-1544.
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Ivana Adamovic & Mark S. Gordon . (2005) Dynamic polarizability, dispersion coefficient C6 and dispersion energy in the effective fragment potential method. Molecular Physics 103:2-3, pages 379-387.
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ASHOK KUMAR, MUKESH KUMAR & WILLIAMJ. MEATH. (2003) Dipole oscillator strengths, dipole properties and dispersion energies for SiF4 . Molecular Physics 101:10, pages 1535-1543.
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MUKESH KUMAR, ASHOK KUMAR & WILLIAMJ. MEATH. (2002) Dipole oscillator strength properties and dispersion energies for CI2 . Molecular Physics 100:20, pages 3271-3279.
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Ashok Kumar & WilliamJ. Meath. (1992) Dipole oscillator strength properties and dispersion energies for acetylene and benzene. Molecular Physics 75:2, pages 311-324.
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Ashok Kumar & WilliamJ. Meath. (1985) Pseudo-spectral dipole oscillator strengths and dipole-dipole and triple-dipole dispersion energy coefficients for HF, HCl, HBr, He, Ne, Ar, Kr and Xe. Molecular Physics 54:4, pages 823-833.
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Fred Mulder & WilliamJ. Meath. (1981) Multipole sum rules. Molecular Physics 42:3, pages 629-653.
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Derk P. Kooi, Timo Weckman & Paola Gori-Giorgi. (2021) Dispersion without Many-Body Density Distortion: Assessment on Atoms and Small Molecules. Journal of Chemical Theory and Computation 17:4, pages 2283-2293.
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Daniil A. Fedotov, Sonia Coriani & Christof Hättig. (2021) Damped (linear) response theory within the resolution-of-identity coupled cluster singles and approximate doubles (RI-CC2) method. The Journal of Chemical Physics 154:12.
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Daisuke Yokogawa. (2019) Isotropic Site-Site Dispersion Potential Constructed Using Quantum Chemical Calculations and a Geminal Auxiliary Basis Set. Bulletin of the Chemical Society of Japan 92:4, pages 748-753.
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Robert Hellmann. (2018) Reference Values for the Second Virial Coefficient and Three Dilute Gas Transport Properties of Ethane from a State-of-the-Art Intermolecular Potential Energy Surface. Journal of Chemical & Engineering Data 63:2, pages 470-481.
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Thomas Fransson, Dirk R. Rehn, Andreas Dreuw & Patrick Norman. (2017) Static polarizabilities and C6 dispersion coefficients using the algebraic-diagrammatic construction scheme for the complex polarization propagator. The Journal of Chemical Physics 146:9.
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Gino A. DiLabio & Alberto Otero‐de‐la‐Roza. 2016. Reviews in Computational Chemistry. Reviews in Computational Chemistry 1 97 .
Amy J Austin. (2016) Derivation of the Spherical Atom Model for Dispersion Forces. Journal of Nanomedicine Research 3:2.
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L. W. Qiao, P. Li & K. T. Tang. (2012) Dynamic polarizabilities of Zn and Cd and dispersion coefficients involving group 12 atoms. The Journal of Chemical Physics 137:8.
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John Kendrick, Frank J. J. Leusen & Marcus A. Neumann. (2012) Empirical van der Waals corrections to solid‐state density functional theory: Iodine and phosphorous containing molecular crystals. Journal of Computational Chemistry 33:19, pages 1615-1622.
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O. Anatole von Lilienfeld & Alexandre Tkatchenko. (2010) Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids. The Journal of Chemical Physics 132:23.
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M. M. Budzevich, A. C. Landerville, M. W. Conroy, Y. Lin, I. I. Oleynik & C. T. White. (2010) Hydrostatic and uniaxial compression studies of 1,3,5-triamino- 2,4,6-trinitrobenzene using density functional theory with van der Waals correction. Journal of Applied Physics 107:11.
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Yan Zhao, Hou T. Ng, Eric Hanson, Jiannan Dong, David S. Corti & Elias I. Franses. (2010) Computation of Nonretarded London Dispersion Coefficients and Hamaker Constants of Copper Phthalocyanine. Journal of Chemical Theory and Computation 6:2, pages 491-498.
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Alexandre Tkatchenko, Robert A. DiStasioJr.Jr., Martin Head-Gordon & Matthias Scheffler. (2009) Dispersion-corrected Møller–Plesset second-order perturbation theory. The Journal of Chemical Physics 131:9.
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A Kumar, B L Jhanwar & W Meath. (2007) Dipole oscillator strength distributions, properties, and dispersion energies for ethylene, propene, and 1-butene. Canadian Journal of Chemistry 85:10, pages 724-737.
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Mahendra Singh, Kai Leonhard & Klaus Lucas. (2007) Making equation of state models predictive. Fluid Phase Equilibria 258:1, pages 16-28.
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U. Hohm, L. Zarkova & M. Damyanova. (2006) Thermophysical Properties of Low-Density Pure Alkanes and Their Binary Mixtures Calculated by Means of an (n-6) Lennard-Jones Temperature-Dependent Potential. International Journal of Thermophysics 27:6, pages 1725-1745.
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Marcus A. Neumann & Marc-Antoine Perrin. (2005) Energy Ranking of Molecular Crystals Using Density Functional Theory Calculations and an Empirical van der Waals Correction. The Journal of Physical Chemistry B 109:32, pages 15531-15541.
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Ashok Kumar, B. L. Jhanwar & William J. Meath. (2005) Dipole Oscillator Strength Distributions and Properties for Methanol, Ethanol and Propan-1-ol and Related Dispersion Energies. Collection of Czechoslovak Chemical Communications 70:8, pages 1196-1224.
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Sławomir M. Cybulski & Terence P. Haley. (2004) New approximations for calculating dispersion coefficients. The Journal of Chemical Physics 121:16, pages 7711-7716.
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A. Jiemchooroj, Bo E. Sernelius & P. Norman. (2004) dipole-dipole dispersion coefficients for the -alkanes: Test of an additivity procedure . Physical Review A 69:4.
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Patrick Norman, Auayporn Jiemchooroj & Bo E. Sernelius. (2003) Polarization propagator calculations of the polarizability tensor at imaginary frequencies and long-range interactions for the noble gases and n -alkanes . The Journal of Chemical Physics 118:20, pages 9167-9174.
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Ashok Kumar, Mukesh Kumar & William J. Meath. (2003) Dipole oscillator strength properties and dispersion energies for SiH4. Chemical Physics 286:2-3, pages 227-236.
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Ashok Kumar. (2002) Reliable isotropic dipole properties and dispersion energy coefficients for CCl4. Journal of Molecular Structure: THEOCHEM 591:1-3, pages 91-99.
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Qin Wu & Weitao Yang. (2002) Empirical correction to density functional theory for van der Waals interactions. The Journal of Chemical Physics 116:2, pages 515-524.
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Valerio Magnasco & Massimo Ottonelli. (1999) Dipole polarizability pseudospectra and C 6 dispersion coefficients for H 2 + –H 2 +. Journal of Molecular Structure: THEOCHEM 469:1-3, pages 31-40.
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Terry N. Olney, N.M. Cann, Glyn Cooper & C.E. Brion. (1997) Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules. Chemical Physics 223:1, pages 59-98.
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Mircea Marinescu & Anthony F. Starace. (1997) Three-body dispersion coefficients for alkali-metal atoms. Physical Review A 55:3, pages 2067-2074.
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S. J. A. van Gisbergen, J. G. Snijders & E. J. Baerends. (1995) A density functional theory study of frequency-dependent polarizabilities and Van der Waals dispersion coefficients for polyatomic molecules. The Journal of Chemical Physics 103:21, pages 9347-9354.
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J. S. Muenter. (1995) Potential functions for carbon dioxide–hydrogen halide and hydrogen halide dimer van der Waals complexes. The Journal of Chemical Physics 103:4, pages 1263-1273.
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Uwe Hohm. (1994) Dispersion of polarizability anisotropy of H2, O2, N2O, CO2, NH3, C2H6, and cyclo-C3H6 and evaluation of isotropic and anisotropic dispersion-interaction energy coefficients. Chemical Physics 179:3, pages 533-541.
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Ashok Kumar & William J. Meath. (1992) Constrained anisotropic dipole oscillator strength distribution techniques, and reliable results for anisotropic and isotropic dipole molecular properties, with applications to H2 and N2. Theoretica Chimica Acta 82:1-2, pages 131-152.
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Ajit J. Thakkar, Zhe-Ming Hu, Claudio E. Chuaqui, J. Scott Carley & Robert J. LeRoy. (1992) Angle and bond-length dependent C6 coefficients for H2 interacting with H, Li, Be and rare gas atoms. Theoretica Chimica Acta 82:1-2, pages 57-73.
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J. S. Muenter. (1991) An intermolecular potential function model applied to acetylene dimer, carbon dioxide dimer, and carbon dioxide acetylene. The Journal of Chemical Physics 94:4, pages 2781-2793.
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Mark A. Spackman. (1991) Time-dependent Hartree–Fock second-order molecular properties with a moderately sized basis set. II. Dispersion coefficients. The Journal of Chemical Physics 94:2, pages 1295-1305.
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Mark A. Spackman. (1991) Time-dependent Hartree–Fock second-order molecular properties with a moderately sized basis set. I. The frequency dependence of the dipole polarizability. The Journal of Chemical Physics 94:2, pages 1288-1294.
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P. Čársky, H.L. Selzle & E.W. Schlag. (1988) Ab initio calculations on the structure of the benzene dimer. Chemical Physics 125:2-3, pages 165-170.
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Laurie J. Danielson, Mark Keil & Peter J. Dunlop. (1988) Anisotropic intermolecular potentials for HeC2H2, HeC2H4, and HeC2H6, and an effective spherical potential for HeCHF3 from multiproperty fits. The Journal of Chemical Physics 88:7, pages 4218-4227.
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F. Y. Hansen. 1988. The Time Domain in Surface and Structural Dynamics. The Time Domain in Surface and Structural Dynamics 499 533 .
Mark A. Spackman. (1986) Atom–atom potentials via electron gas theory. The Journal of Chemical Physics 85:11, pages 6579-6586.
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Jonathan A. Yoffe, Gerald M. Maggiora & A. Terry Amos. (1986) Dipole sums and intermolecular interaction coefficients derived from refractive index data. Theoretica Chimica Acta 69:5-6, pages 461-473.
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Ashok Kumar, G. R. G. Fairley & William J. Meath. (1985) Dipole properties, dispersion energy coefficients, and integrated oscillator strengths for SF6 . The Journal of Chemical Physics 83:1, pages 70-77.
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Ashok Kumar & William J. Meath. (1984) Pseudo-spectral dipole oscillator-strength distributions for SO2, CS2 and OCS and values of some related dipole—dipole and triple-dipole dispersion energy constants. Chemical Physics 91:3, pages 411-418.
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Ajit J. Thakkar. (1984) Bounding and estimation of van der Waals coefficients. The Journal of Chemical Physics 81:4, pages 1919-1928.
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Young Kee Kang & Mu Shik Jhon. (1982) Additivity of atomic static polarizabilities and dispersion coefficients. Theoretica Chimica Acta 61:1, pages 41-48.
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William J. Meath, Daniel J. Margoliash, B. L. Jhanwar, A. Koide & G. D. Zeiss. 1981. Intermolecular Forces. Intermolecular Forces 101 115 .

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