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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 90, 1997 - Issue 3
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Original Articles

Isotropic dipole properties for acetone, acetaldehyde and formaldehyde

Pages 389-398 | Published online: 03 Dec 2010

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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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Manuel Hodecker, Dirk R. Rehn, Patrick Norman & Andreas Dreuw. (2019) Algebraic-diagrammatic construction scheme for the polarization propagator including ground-state coupled-cluster amplitudes. II. Static polarizabilities. The Journal of Chemical Physics 150:17.
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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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Ajit J. Thakkar & Taozhe Wu. (2015) How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?. The Journal of Chemical Physics 143:14.
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U. Hohm. (2013) Experimental static dipole–dipole polarizabilities of molecules. Journal of Molecular Structure 1054-1055, pages 282-292.
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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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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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Tonglei Li & Shaoxin Feng. (2006) Empirically Augmented Density Functional Theory for Predicting Lattice Energies of Aspirin, Acetaminophen Polymorphs, and Ibuprofen Homochiral and Racemic Crystals. Pharmaceutical Research 23:10, pages 2326-2332.
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Shaoxin Feng & Tonglei Li. (2005) Predicting Lattice Energy of Organic Crystals by Density Functional Theory with Empirically Corrected Dispersion Energy. Journal of Chemical Theory and Computation 2:1, pages 149-156.
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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. (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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X. Li, M. H. Champagne & K. L. C. Hunt. (1998) Long-range, collision-induced dipoles of Td–D∞h molecule pairs: Theory and numerical results for CH4 or CF4 interacting with H2, N2, CO2, or CS2. The Journal of Chemical Physics 109:19, pages 8416-8425.
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