Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 41, 1980 - Issue 2
Submit an article Journal homepage
61
Views
67
CrossRef citations to date
0
Altmetric
Original Articles

A critical study of some methods for evaluating the C6, C8 and C10 isotropic dispersion energy coefficients using the first row hydrides, CO, CO2 and N2O as models

Fred Mulder Department of Chemistry, University of Western Ontario, London, Canada, N6A 5B7View further author information
,
Gerald F. Thomas 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 249-269 | Received 24 Mar 1980, Published online: 22 Aug 2006

Citations (67)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (14)

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.
Read now
ASHOK KUMAR & W. J. MEATH. (1997) Isotropic dipole properties for acetone, acetaldehyde and formaldehyde. Molecular Physics 90:3, pages 389-398.
Read now
Ashok Kumar & WilliamJ. Meath. (1992) Dipole oscillator strength properties and dispersion energies for acetylene and benzene. Molecular Physics 75:2, pages 311-324.
Read now
M.A. Matías & A.J.C. Varandas. (1990) Atom-molecule dispersion-energy coefficients and their dependence on the intramolecular coordinate: A-H2 systems. Molecular Physics 70:4, pages 623-644.
Read now
AshokK. Dham, A.R. Allnatt, WilliamJ. Meath & RonaldA. Aziz. (1989) The Kr-Kr potential energy curve and related physical properties; the XC and HFD-B potential models. Molecular Physics 67:6, pages 1291-1307.
Read now
C.V. Boughton, R.E. Miller, P.F. Vohralik & R.O. Watts. (1986) The helium-hydrogen fluoride differential scattering cross-section. Molecular Physics 58:4, pages 827-848.
Read now
N. Corbin, A.R. Allnatt & W.J. Meath. (1986) Second virial coefficients and the simulation of equilibrium properties of liquid nitrogen using model potentials. Molecular Physics 58:1, pages 21-32.
Read now
U. Buck, K.H. Kohl, A. Kohlhase, M. Faubel & V. Staemmler. (1985) Rotationally inelastic scattering and potential calculations for He + CH4 . Molecular Physics 55:6, pages 1255-1274.
Read now
U. Buck, A. Kohlhase, D. Secrest, T. Phillips, G. Scoles & F. Grein. (1985) Rotationally inelastic scattering and potential calculations for Ne + CH4 . Molecular Physics 55:6, pages 1233-1253.
Read now
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.
Read now
N. Corbin, WilliamJ. Meath & A.R. Allnatt. (1984) Second virial coefficients, including quantum corrections, for nitrogen using model potentials. Molecular Physics 53:1, pages 225-232.
Read now
C. Douketis, J.M. Hutson, B.J. Orr & G. Scoles. (1984) Anisotropic intermolecular forces from Hartree-Fock plus damped dispersion (HFD) calculations. Molecular Physics 52:4, pages 763-781.
Read now
G. Drolshagen & F.A. Gianturco. (1983) (V, T) collisional energy exchange in CO + H2 gaseous mixtures. Molecular Physics 48:4, pages 673-686.
Read now
Fred Mulder & WilliamJ. Meath. (1981) Multipole sum rules. Molecular Physics 42:3, pages 629-653.
Read now

Articles from other publishers (53)

M.S.A. El-Kader & G. Maroulis. (2012) New insights into collision-induced rototranslational absorption and scattering spectra of gaseous methane at different temperatures. Journal of Molecular Spectroscopy 281, pages 28-39.
Crossref
Robert R. Gamache, Julien Lamouroux, Anne L. Laraia, Jean-Michel Hartmann & Christian Boulet. (2012) Semiclassical calculations of half-widths and line shifts for transitions in the 30012←00001 and 30013←00001 bands of CO2, I: Collisions with N2. Journal of Quantitative Spectroscopy and Radiative Transfer 113:11, pages 976-990.
Crossref
Marcos M Almeida, Frederico V Prudente, Carlos E Fellows, Jorge M C Marques & Francisco B Pereira. (2011) Direct fit of spectroscopic data of diatomic molecules by using genetic algorithms: II. The ground state of RbCs. Journal of Physics B: Atomic, Molecular and Optical Physics 44:22, pages 225102.
Crossref
M.S.A. El-Kader & G. Maroulis. (2011) An empirical multi-parameter anisotropic intermolecular potential, collision-induced absorption and predicted collision-induced light scattering spectra for CF4–He. Chemical Physics 388:1-3, pages 78-85.
Crossref
Axel D. Becke & Erin R. Johnson. (2007) Exchange-hole dipole moment and the dispersion interaction revisited. The Journal of Chemical Physics 127:15.
Crossref
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.
Crossref
Robert Moszynski. 2007. Molecular Materials with Specific Interactions – Modeling and Design. Molecular Materials with Specific Interactions – Modeling and Design 1 152 .
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.
Crossref
James R. Stallcop, Harry Partridge & Eugene Levin. (2001) Effective potential energies and transport cross sections for atom-molecule interactions of nitrogen and oxygen. Physical Review A 64:4.
Crossref
A. Dkhissi, M.E. Alikhani & Y. Bouteiller. (1997) Methodological study of Becke3-LYP density functional adapted to the determination of accurate infrared signature for hydrogen-bonded complexes. Journal of Molecular Structure 416:1-3, pages 1-9.
Crossref
Brian Kendrick & Russell T Pack. (1995) Potential energy surfaces for the low-lying 2 A ″ and 2 A ′ States of HO2: Use of the diatomics in molecules model to fit ab   initio data . The Journal of Chemical Physics 102:5, pages 1994-2012.
Crossref
Robert J. LeRoy, Carey Bissonnette, Thomas H. Wu, Ashok K. Dham & William J. Meath. (1994) Improved modelling of atom–molecule potential-energy surfaces: illustrative application to He–CO. Faraday Discuss. 97, pages 81-94.
Crossref
G. D. Billing, V. A. Zenevich & W. Lindinger. (1992) Semiclassical analysis of vibrational energy transfer in HF–HF and isotopic systems. I. V - T / R and V - V rate constants for the lowest transitions in HF–HF . The Journal of Chemical Physics 97:5, pages 3274-3281.
Crossref
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.
Crossref
William J. Meath & M. Koulis. (1991) On the construction and use of reliable two- and many-body interatomic and intermolecular potentials. Journal of Molecular Structure: THEOCHEM 226:1-2, pages 1-37.
Crossref
G. Ebel, R. Krohne, H. Meyer, U. Buck, R. Schinke, T. Seelemann, P. Andresen, J. Schleipen, J. J. ter Meulen & G. H. F. Diercksen. (1990) Rotationally inelastic scattering of NH3 with H2: Molecular-beam experiments and quantum calculations. The Journal of Chemical Physics 93:9, pages 6419-6432.
Crossref
Christopher M. Lovejoy & David J. Nesbitt. (1990) Mode specific internal and direct rotational predissociation in HeHF, HeDF, and HeHCl: van der Waals complexes in the weak binding limit. The Journal of Chemical Physics 93:8, pages 5387-5407.
Crossref
Ashok K. Dham, William J. Meath, A.R. Allnatt, Ronald A. Aziz & M.J. Slaman. (1990) XC and HFD-B potential energy curves for Xe-Xe and related physical properties. Chemical Physics 142:2, pages 173-189.
Crossref
Timothy R. Phillips & Don Secrest. (1990) A study of the neon–methane interaction potential as determined from low energy molecular beam experiments. The Journal of Chemical Physics 92:6, pages 3410-3418.
Crossref
Donald G. Truhlarl. 1990. Dynamics of Polyatomic Van der Waals Complexes. Dynamics of Polyatomic Van der Waals Complexes 159 185 .
Timothy Phillips & Don Secrest. (1989) Close-coupling and coupled states calculation of low energy He–CH4 and Ne–CH4 collisions. The Journal of Chemical Physics 91:5, pages 2840-2847.
Crossref
Ajit J. Thakkar. (1988) Higher dispersion coefficients: Accurate values for hydrogen atoms and simple estimates for other systems. The Journal of Chemical Physics 89:4, pages 2092-2098.
Crossref
Amedeo Palma, Sheldon Green, D. J. DeFrees & A. D. McLean. (1988) Intermolecular potential for thermal H2O–He collisions. The Journal of Chemical Physics 89:3, pages 1401-1407.
Crossref
Joyce J. Kaufman. 1988. Molecules in Physics, Chemistry, and Biology. Molecules in Physics, Chemistry, and Biology 563 575 .
Piotr Piecuch. 1988. Molecules in Physics, Chemistry, and Biology. Molecules in Physics, Chemistry, and Biology 417 505 .
Peter J. Dunlop & C.M. Bignell. (1987) Diffusion and thermal diffusion in binary mixtures of methane with noble gases and of argon with krypton. Physica A: Statistical Mechanics and its Applications 145:3, pages 584-596.
Crossref
G.D. Billing. (1987) Cross sections for rotational/vibrational transitions in HF-HF collisions: effect of initial state. Chemical Physics 112:1, pages 95-104.
Crossref
H. Haberlandt, J. Sauer & G. Pacchioni. (1987) Transition metal atom-water complexes: A quantum chemical study including electron correlation. Journal of Molecular Structure: THEOCHEM 149:3-4, pages 297-309.
Crossref
R. E. Miller, P. F. Vohralik & R. O. Watts. (1986) Total differential scattering cross sections for hydrogen scattered from nitrogen and hydrogen fluoride. The Journal of Chemical Physics 85:7, pages 3891-3895.
Crossref
K. Tsujinaga & G. G. Hall. (1986) The currant bun model of simple molecules. Theoretica Chimica Acta 70:4, pages 257-264.
Crossref
H. Meyer, U. Buck, R. Schinke & G. H. F. Diercksen. (1986) Rotationally inelastic scattering and potential calculation for NH3+He. The Journal of Chemical Physics 84:9, pages 4976-4987.
Crossref
Pier Francesco Fracassi, Gianni Cardini, Séamus O’Shea, Roger W. Impey & Michael L. Klein. (1986) Solid and liquid carbon monoxide studied with the use of constant-pressure molecular dynamics. Physical Review B 33:5, pages 3441-3447.
Crossref
G. D. Billing. (1986) Semiclassical calculation of cross sections for vibration–rotation energy transfer in HF–HF collisions. The Journal of Chemical Physics 84:5, pages 2593-2603.
Crossref
Gert Due Billing, Lise Lotte Poulsen & Geerd H.F. Diercksen. (1985) Rate constants for rotational excitation of ortho- and para-NH3 colliding with 4He on an Ab initio potential energy surface. Chemical Physics 98:3, pages 397-408.
Crossref
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.
Crossref
Pier Francesco Fracassi, Roberto Righini, Raffaele Guido Della Valle & Michael L. Klein. (1985) Lattice dynamics of solid α-carbon monoxide. Chemical Physics 96:3, pages 361-369.
Crossref
Foppe Visser & Paul E.S. Wormer. (1985) The non-empirical calculation of second-order molecular properties by means of effective states. II. Effective TDCHF spectra for NO+ CO, CO2, and C2H2. Chemical Physics 92:1, pages 129-140.
Crossref
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.
Crossref
G.A. Gallup & J. Gerratt. (1984) The C6 coefficients for NeHF. Improved polarizabilities and dispersion coefficients by a simple level-shifting technique. Chemical Physics Letters 112:3, pages 228-232.
Crossref
Xue-Pei Jiang, Flavio Toigo & Milton W. Cole. (1984) The dispersion force of physical adsorption. Surface Science 145:2-3, pages 281-293.
Crossref
Pier Francesco Fracassi & Michael L. Klein. (1984) Translation-rotation coupling and the lattice dynamics of solid carbon monoxide. Chemical Physics Letters 108:4, pages 359-362.
Crossref
R. Schinke, H. Meyer, U. Buck & G. H. F. Diercksen. (1984) A new rigid-rotor H2–CO potential energy surface from accurate a b   i n i t i o calculations and rotationally inelastic scattering data . The Journal of Chemical Physics 80:11, pages 5518-5530.
Crossref
M. M. Szczȩśniak & Steve Scheiner. (1984) Studies of dispersion energy in hydrogen-bonded systems. H2O–HOH, H2O–HF, H3N–HF, HF–HF. The Journal of Chemical Physics 80:4, pages 1535-1542.
Crossref
Yu. N. Vorob'ev. (1984) Calculation of the van der Waals atom-atom interactions on the basis of a hydrogen-like approximation of the electron density of the outer shell and the dipole polarizability of the atom. Journal of Structural Chemistry 25:1, pages 56-65.
Crossref
Xue-Pei Jiang, Flavio Toigo & Milton W. Cole. (1983) Quadrupole contribution to the physisorption interaction. Chemical Physics Letters 101:2, pages 159-162.
Crossref
R.A. Aziz, William J. Meath & A.R. Allnatt. (1983) On the Ne—Ne potential-energy curve and related properties. Chemical Physics 78:2, pages 295-309.
Crossref
M. C. van Hemert. (1983) Potential energy surface for the study of inelastic collisions between nonrigid CO and H2. The Journal of Chemical Physics 78:5, pages 2345-2354.
Crossref
J. Hoinkis, R. Ahlrichs & H.‐J. Böhm. (2004) A simple treatment of intermolecular interactions: Synthesis of ab initio calculations and combination rules . International Journal of Quantum Chemistry 23:3, pages 821-834.
Crossref
N. Legay-Sommaire & F. Legay. (1982) Analysis of the infrared emission and absorption spectra from isotopic CO molecules in solid α-CO. Chemical Physics 66:3, pages 315-325.
Crossref
P. Habitz, K.T. Tang & J.Peter Toennies. (1982) The anisotropic van der waals potential for He-N2. Chemical Physics Letters 85:4, pages 461-466.
Crossref
Pavel Hobza, Hans-Joerg Hofmann & Rudolf Zahradník. (1981) The CO2⋯HF complex: A theoretical study (4–31G, 6–31G* + dispersion energy) of the stationary points and thermodynamics of formation. Journal of Molecular Structure: THEOCHEM 85:3-4, pages 241-247.
Crossref
P. Hobza, M.M. Szczȩśniak & Z. Latajka. (1981) HF-ClF: minima on the 4-31G and 4-31G* energy hypersurfaces and thermodynamics of formation. Chemical Physics Letters 82:3, pages 469-472.
Crossref
William J. Meath, Daniel J. Margoliash, B. L. Jhanwar, A. Koide & G. D. Zeiss. 1981. Intermolecular Forces. Intermolecular Forces 101 115 .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.