Small clusters of formic acid: Tests and applications of density functional theory with dispersion-correcting potentials

Chemical Physics Letters

Volumn 560, Issue , 2013, Pages 71-74

  Thakkar, Ajit J ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONALS; NON-COVALENT INTERACTION; PENTAMERS; SMALL CLUSTERS; TETRAMERS;

DENSITY FUNCTIONAL THEORY; DISPERSIONS; IONS; OLIGOMERS;

FORMIC ACID;

EID: 84874110849     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.01.010     Document Type: Article

References (20)

1. J. Klimeš, and A. Michealides J. Chem. Phys. 137 2012 120901
2. E. Torres, and G.A. DiLabio J. Phys. Chem. Lett. 3 2012 1738
3. A.D. Becke J. Chem. Phys. 98 1993 5648
4. P.J. Stephens, F.J. Devlin, C.F. Chabalowski, and M.J. Frisch J. Phys. Chem. 98 1994 11623
5. R.H. Hertwig, and W. Koch Chem. Phys. Lett. 268 1997 345
6. P. Jurečka, J. Šponer, J. Černý, and P. Hobza Phys. Chem. Chem. Phys. 8 2006 1985
7. M.S. Marshall, L.A. Burns, and C.D. Sherrill J. Chem. Phys. 135 2011 194102
8. J. Řezáč, K.E. Riley, and P. Hobza J. Chem. Theory Comput. 7 2011 2427
9. A.K. Roy, and A.J. Thakkar Chem. Phys. Lett. 386 2004 162
10. A. Karpfen, and A.J. Thakkar J. Chem. Phys. 124 2006 224313
11. A.K. Roy, and A.J. Thakkar Chem. Phys. 312 2005 119
12. M.J. Frisch Gaussian03, Revision B.05 2003 Gaussian Inc. Pittsburgh, PA
13. W.H. Hocking Z. Naturforsch. 31A 1976 1113
14. A.G. Császár, W.D. Allen, and H.F. Schaefer J. Chem. Phys. 108 1998 9751
15. J. Karle, and L.O. Brockway J. Am. Chem. Soc. 66 1944 574
16. A. Almenningen, O. Bastiansen, and T. Motzfeldt Acta Chem. Scand. 24 1970 747
17. L. Turi J. Phys. Chem. 100 1996 11285
18. J. Chocholoušová, J. Vacek, and P. Hobza Phys. Chem. Chem. Phys. 4 2002 2119
19. R.M. Balabin J. Phys. Chem. A 113 2009 4910
20. A.K. Roy, and A.J. Thakkar Chem. Phys. Lett. 393 2004 347