8 Relationship Between Atomic Contact and Intermolecular …
151
8. Becke. A.D.: Density-functional thermochemistry. III. The role of exact exchange. J. Chem.
Phys. 98, 5648–5652 (1993)
9. Grimme, S.: Semiempirical GGA-type density functional constructed with a long-range
dispersion correction. J. Comp. Chem. 27, 1787–1799 (2006)
10. Grimme, S., Antony, J., Ehrlich, S., Krieg, H.: A consistent and accurate ab initio parameterization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem.
Phys. 132, 154104 (2010)
11. Tsuzuki, S., Uchimaru, T., Tanabe, K., Kuwajima, S.: Refinement of nonbonding interaction potential parameters for methane on the basis of the pair potential obtained by MP3/6311G(3d,3p)-level ab initio molecular orbital calculations: the anisotropy of H/H interaction.
J. Phys. Chem. 98, 1830–1833 (1994)
151
8. Becke. A.D.: Density-functional thermochemistry. III. The role of exact exchange. J. Chem.
Phys. 98, 5648–5652 (1993)
9. Grimme, S.: Semiempirical GGA-type density functional constructed with a long-range
dispersion correction. J. Comp. Chem. 27, 1787–1799 (2006)
10. Grimme, S., Antony, J., Ehrlich, S., Krieg, H.: A consistent and accurate ab initio parameterization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem.
Phys. 132, 154104 (2010)
11. Tsuzuki, S., Uchimaru, T., Tanabe, K., Kuwajima, S.: Refinement of nonbonding interaction potential parameters for methane on the basis of the pair potential obtained by MP3/6311G(3d,3p)-level ab initio molecular orbital calculations: the anisotropy of H/H interaction.
J. Phys. Chem. 98, 1830–1833 (1994)