Chemistry Reference
In-Depth Information
28. S. Tsuzuki and H. P. L ¨ thi,
J. Chem. Phys.
,
114
, 3949 (2001). Interaction Energies of van der
Waals and Hydrogen Bonded Systems Calculated Using Density Functional Theory: Asses-
sing the PW91 Model.
29. K. C. Janda, J. C. Hemminger, J. S. Winn, S. E. Novick, S. J. Harris, and W. Klemperer,
J. Chem. Phys.
,
63
, 1419 (1975). Benzene Dimer: A Polar Molecule.
30. J. M. Steed, T. A. Dixon, and W. Klemperer,
J. Chem. Phys.
,
70
, 4940 (1979). Molecular Beam
Studies of Benzene Dimer, Hexafluorobenzene Dimer, and Benzene-Hexafluorobenzene.
31. K. S. Law, M. Schauer, and E. R. Bernstein,
J. Chem. Phys.
,
81
, 4871 (1984). Dimers of
Aromatic Molecules: (Benzene)
2
, (Toluene)
2
, and Benzene-Toluene.
32. K. O. B ¨ rnsen, H. L. Selzle, and E. W. Schlag,
J. Chem. Phys.
,
85
, 1726 (1986). Spectra of
Isotopically Mixed Benzene Dimers: Details on the Interaction in the vdW Bond.
33. J. R. Grover, E. A. Walters, and E. T. Hui,
J. Phys. Chem.
,
91
, 3233 (1987). Dissociation
Energies of the Benzene Dimer and Dimer Cation.
34. H. Krause, B. Ernstberger, and H. J. Neusser,
Chem. Phys. Lett.
,
184
, 411 (1991). Binding
Energies of Small Benzene Clusters.
35. E. Arunan and H. S. Gutowsky,
J. Chem. Phys.
,
98
, 4294 (1993). The Rotational Spectrum,
Structure and Dynamics of a Benzene Dimer.
36. P. M. Felker, P. M. Maxton, and M. W. Schaeffer,
Chem. Rev.
,
94
, 1787 (1994). Nonlinear
Raman Studies of Weakly Bound Complexes and Clusters in Molecular Beams.
37. S. Tsuzuki, K. Honda, T. Uchimaru, M. Mikami, and K. Tanabe,
J. Am. Chem. Soc.
,
124
, 104
(2002). Origin of Attraction and Directionality of the
p
-
p
Interaction: Model Chemistry
Calculations of Benzene Dimer Interaction.
38. M. O. Sinnokrot, E. F. Valeev, and C. D. Sherrill,
J. Am. Chem. Soc.
,
124
, 10887 (2002).
Estimates of the Ab Initio Limit for
Interactions: The Benzene Dimer.
39. J. Gauss and J. F. Stanton,
J. Phys. Chem. A
,
104
, 2865 (2000). The Equilibrium Structure of
Benzene.
40. A. D. Becke,
J. Chem. Phys.
,
98
, 1372 (1993). A New Mixing of Hartree-Fock and Local
Density-Functional Theories.
41. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch,
J. Phys. Chem.
,
98
, 11623
(1994).
Ab Initio
Calculation of Vibrational Absorption and Circular Dichroism Spectra
Using Density Functional Force Fields.
42. G. D. Purvis and R. J. Bartlett,
J. Chem. Phys.
,
76
, 1910 (1982). A Full Coupled-Cluster Singles
and Doubles Model: The Inclusion of Disconnected Triples.
43. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon,
Chem. Phys. Lett.
,
157
, 479 (1989). A 5th-Order Perturbation Comparison of Electron Correlation
Theories.
44. R. A. Kendall, T. H. Dunning, and R. J. Harrison,
J. Chem. Phys.
,
96
, 6796 (1992). Electron
Affinities of the First-Row Atoms Revisited. Systematic Basis Sets and Wave Functions.
45. T. J. Lee and G. E. Scuseria, in
Quantum Mechanical Electronic Structure Calculations with
Chemical Accuracy
, S. R. Langhoff, Ed., Kluwer Academic, Dordrecht, 1995, pp. 47-108.
Achieving Chemical Accuracy with Coupled-Cluster Theory.
46. C. D. Sherrill, in
Annual Reports in Computational Chemistry
, D. Spellmeyer, Ed., Elsevier,
Amsterdam, 2005, Vol. 1, pp. 45-54. Bond Breaking in Quantum Chemistry.
47. B. W. Hopkins and G. S. Tschumper,
J. Phys. Chem. A
,
108
, 2941 (2004). Ab Initio Studies of
p
p
p
-
p
Interactions: The Effects of Quadruple Excitations.
48. N. R. Kestner and J. E. Combariza, in
Reviews in Computational Chemistry
, K. B. Lipkowitz
and D. B. Boyd, Eds., Wiley, New York, 1999, Vol. 13, pp. 99-132. Basis Set Superposition
Errors: Theory and Practice.
49. S. F. Boys and F. Bernardi,
Mol. Phys.
,
19
, 553 (1970). The Calculation of Small Molecular
Interactions by the Differences of Separate Total Energies. Some Procedures with Reduced
Errors.