Highly accurate estimates of hydrogen-bond energies relying on basis set convergence patterns

Journal of Physical Chemistry A

Volumn 102, Issue 10, 1998, Pages 1832-1836

  Liedl, Klaus R ^a   Kroemer, Romano T ^b  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000060547     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972697p     Document Type: Article

References (20)

1. Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553-566.
2. van Duijnveldt, F. B.; van Duijneveldt-van der Rijdt, J. G. C. M.; van Lenthe, J. H. Chem. Rev. 1994, 94, 1873-1885.
3. van Duijneveldt, F. B. Basis Set Superposition Error. In Molecular Interactions - From van der Waals to Strongly Bound Complexes; Wiley Tutorial Series in Theoretical Chemistry; John Wiley & Sons, Inc.: New-York, 1997; pp 81-104.
4. Xantheas, S. S. J. Chem. Phys. 1996, 104, 8821-8824.
5. Dunning, T. H., Jr. J. Chem. Phys. 1989, 90, 1007-1023.
6. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796-6806.
7. Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1995, 103, 4572-4585.
8. Liedl, K. R.; Sekusak, S.; Mayer, E. J. Am. Chem. Soc. 1997, 119, 3782-3784.
9. Feyereisen, M. W.; Feller, D.; Dixon, D. A. J. Phys. Chem. 1996, 100, 2993-2997.
10. Peterson, K. A.; Dunning, T. H., Jr. J. Chem. Phys. 1995, 102, 2032-2041.
11. Miller, R. E. Acc. Chem. Res. 1990, 23, 10-16.
12. Suhm, M. A.; Farrell, J. T., Jr.; Ashworth, S. H.; Nesbitt, D. J. J. Chem. Phys. 1993, 98, 5985-5989.
13. Luckhaus, D.; Quack, M.; Schmitt, U.; Suhm, M. A. Ber. Bunsen-Ges. Phys. Chem. 1995, 99, 457-468.
14. Suhm, M. A.; Nesbitt, D. J. Chem. Soc. Rev. 1995, 24, 45-54.
15. Maerker, C.; Schleyer, P. v. R.; Liedl, K. R.; Ha, T.-K.; Quack, M.; Suhm, M. A. J. Comput. Chem. 1997, 18, 1695-1719.
16. Liedl, K. R.; Xantheas, S. S.; Rode, B. M.; Dunning, T. H., Jr. To be published.
17. Xantheas, S. S. J. Chem. Phys. 1994, 100, 7523-7534.
18. Xantheas, S. S. Private communication.
19. Klopper, W.; Schütz, M. Ber. Bunsen-Ges. Phys. Chem. 1995, 99, 469-473.
20. Klopper, W.; Schütz, M.; Lüthi, H. P.; Leutwyler, S. J. Chem. Phys. 1995, 103, 1085-1098.