Application of symmetry-adapted perturbation theory to small ionic systems

Journal of Physical Chemistry A

Volumn 116, Issue 34, 2012, Pages 8731-8736

  Matczak, Piotr ^a  

^a UNIVERSITY OF LODZ   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; ENERGY CORRECTION; HYBRID APPROACH; INTERACTION ENERGIES; ION PAIRS; IONIC SYSTEMS; SYMMETRY ADAPTED PERTURBATION THEORY;

ALKALI HALIDES; BINDING ENERGY; DIMERS;

IONS;

ALKALI METAL; HALOGEN;

ARTICLE; CHEMISTRY; DIMERIZATION; QUANTUM THEORY; THERMODYNAMICS;

DIMERIZATION; HALOGENS; METALS, ALKALI; QUANTUM THEORY; THERMODYNAMICS;

EID: 84865695011     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp302548u     Document Type: Article

References (34)

1. Desiraju, G. R. The Crystal as a Supramolecular Entity; John Wiley & Sons, Ltd: Chichester, 1996.
2. Scheiner, S. Intermolecular Interactions - From van der Waals to Strongly Bound Complexes; Wiley: New York, 1997.
3. Kaplan, I. G. Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials; John Wiley & Sons, Ltd: Chichester, 2006.
4. Steed, J. W.; Turner, D. R.; Wallace, K. J. Core Concepts in Supramolecular Chemistry and Nanochemistry; John Wiley & Sons, Ltd: Chichester, 2007.
5. Müller-Dethlefs, K.; Hobza, P. Chem. Rev. 2000, 100, 143-167
6. Jeziorski, B.; Moszyński, R.; Szalewicz, K. Chem. Rev. 1994, 94, 1887-1930
7. Szalewicz, K.; Patkowski, K.; Jeziorski, B. Struct. Bonding (Berlin, Ger.) 2005, 116, 43-117
8. Chałasiński, G.; Szcześniak, M. M. Chem. Rev. 2000, 100, 4227-4252
9. Adams, W. H. Int. J. Quantum Chem. 1996, 60, 273-285
10. Hohenstein, E. G.; Sherrill, C. D. J. Chem. Phys. 2010, 132, 184111-1-184111-10
11. Hohenstein, E. G.; Sherrill, C. D. J. Chem. Phys. 2010, 133, 104107-1-104107-7
12. Hohenstein, E. G.; Sherrill, C. D. J. Chem. Phys. 2010, 133, 014101-1-014101-12
13. Misquitta, A. J.; Podeszwa, R.; Jeziorski, B.; Szalewicz, K. J. Chem. Phys. 2005, 123, 214103-1-214103-14
14. Hesselmann, A.; Jansen, G.; Schütz, M. J. Am. Chem. Soc. 2006, 128, 11730-11731 and references therein
15. Bukowski, R.; Podeszwa, R.; Szalewicz, K. Chem. Phys. Lett. 2005, 414, 111-116
16. Podeszwa, R.; Bukowski, R.; Szalewicz, K. J. Chem. Theory Comput. 2006, 2, 400-412
17. Zahn, S.; Uhlig, F.; Thar, J.; Spickermann, C.; Kirchner, B. Angew. Chem., Int. Ed. 2008, 47, 3639-3641
18. Bankiewicz, B.; Matczak, P.; Palusiak, M. J. Phys. Chem. A 2012, 116, 452-459
19. Bukowski, R.; Cencek, W.; Jankowski, P.; Jeziorska, M.; Jeziorski, B.; Kucharski, S. A.; Lotrich, V. F.; Misquitta, A. J.; Moszyński, R.; Patkowski, K.; Rybak, S.; Szalewicz, K.; Williams, H. L.; Wormer, P. E. S. SAPT2008: An ab initio program for many-body symmetry-adapted perturbation theory calculations of intermolecular interaction energies, Revision SAPT2008.2; University of Delaware and University of Warsaw, Delaware and Warsaw, 2009.
20. Patkowski, K.; Szalewicz, K.; Jeziorski, B. J. Chem. Phys. 2006, 125, 154107-1-154107-20
21. Weigend, F.; Ahlrichs, R. Phys. Chem. Chem. Phys. 2005, 7, 3297-3305
22. Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. V. R. J. Comput. Chem. 1983, 4, 294-301
23. Blaudeau, J.-P.; McGrath, M. P.; Curtiss, L. A.; Radom, L. J. Chem. Phys. 1997, 107, 5016-5021
24. Curtiss, L. A.; McGrath, M. P.; Blandeau, J.-P.; Davis, N. E.; Binning, R. C., Jr.; Radom, L. J. Chem. Phys. 1995, 103, 6104-6113
25. Rappoport, D.; Furche, F. J. Chem. Phys. 2010, 133, 134105-1-134105-11
26. Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479-483
27. Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. J.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347-1363
28. Gordon, M. S.; Schmidt, M. W. Advances in Electronic Structure Theory: GAMESS a Decade Later. In Theory and Applications of Computational Chemistry, the First Forty Years; Dykstra, C. E.; Frenking, G.; Kim, K. S.; Scuseria, G. E., Eds.; Elsevier: Amsterdam, 2005; pp 1167-1189.
29. Lao, K. U.; Herbert, J. M. J. Phys. Chem. A 2012, 116, 3042-3047
30. Karthikeyan, S.; Sedlak, R.; Hobza, P. J. Phys. Chem. A 2011, 115, 9422-9428
31. Hohenstein, E. G.; Sherrill, C. D. WIREs Comput. Mol. Sci. 2012, 2, 304-326
32. Jurečka, P.; Šponer, J.; Černý, J.; Hobza, P. Phys. Chem. Chem. Phys. 2006, 8, 1985-1993
33. Řezác, J.; Hobza, P. J. Chem. Theory Comput. 2011, 7, 685-689
34. Sinnokrot, M. O.; Sherrill, C. D. J. Phys. Chem. A 2006, 110, 10656-10668