Comment on 'To stack or not to stack: Performance of a new density functional for the uracil and thymine dimers' [Chem. Phys. Lett. 459 (2008) 164]

Chemical Physics Letters

Volumn 473, Issue 1-3, 2009, Pages 206-208

  van Mourik, Tanja ^a  

^a UNIVERSITY OF ST ANDREWS   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

POTENTIAL ENERGY; QUANTUM CHEMISTRY;

BASIS SET SUPERPOSITION ERRORS; DENSITY FUNCTIONALS; STACKING ENERGY; THYMINE DIMERS; URACIL DIMERS;

AROMATIC COMPOUNDS;

EID: 64649103388     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.03.050     Document Type: Note

References (13)

1. Gu J., Wang J., Leszczynski J., Xie Y., and Schaefer III H.F. Chem. Phys. Lett. 459 (2008) 164
2. Zhao Y., and Truhlar D.G. Theor. Chem. Acc. 120 (2008) 215
3. Jurečka P., and Hobza P. J. Am. Chem. Soc. 125 (2003) 15608
4. Sinnokrot M.O., and Sherrill C.D. J. Phys. Chem. A 108 (2004) 10200
5. Da{ogonek}bkowska I., Jurecka P., and Hobza P. J. Chem. Phys. 122 (2005) 204322
6. Zhao Y., Schultz N.E., and Truhlar D.G. J. Chem. Theor. Comput. 2 (2006) 364
7. NWChem version Version 5.0.
8. M.J. Frisch et al., Gaussian 03 version Revision E.01.
9. Leininger M.L., Nielsen I.M.B., Colvin M.E., and Janssen C.L. J. Phys. Chem. A 106 (2002) 3850
10. Jurečka P., Šponer J., Černý J., and Hobza P. Phys. Chem. Chem. Phys. 8 (2006) 1985
11. Zhao Y., and Truhlar D.G. J. Chem. Theor. Comput. 3 (2007) 289
12. Pitoňák M., Riley K.E., Neogrády P., and Hobza P. Chem. Phys. Chem. 9 (2008) 1636
13. Zhao Y., and Truhlar D.G. Acc. Chem. Res. 41 (2008) 157