Reply to comment on 'The enthalpy of the O-H bond homolytic dissociation: Basis-set extrapolated density functional theory and coupled cluster calculations'

Chemical Physics Letters

Volumn 417, Issue 4-6, 2006, Pages 570-572

  Costa Cabral, B J ^a   Canuto, Sylvio ^b  

^a UNIVERSITY OF LISBON   (Portugal)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; ENTHALPY; HYDROGEN BONDS; PROBABILITY DENSITY FUNCTION; RELIABILITY;

BOND DISSOCIATION ENTHALPY (BDE); CATHECOL; PERTURBATIVE INCLUSIONS;

PHENOLS;

EID: 29344443449     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.09.140     Document Type: Note

References (15)

1. P. Mulder, H.-G. Korth, D.A. Pratt, G.A. DiLabio, L. Valgimigli, G.F. Pedulli, and K.U. Ingold J. Phys. Chem. A 109 2005 2647
2. R.M. Borges dos Santos, and J.A. Martinho Simões J. Phys. Chem. Ref. Data 27 1998 707
3. V.F. DeTuri, and K.M. Ervin Int. J. Mass Spectrom. 175 1998 123
4. S.J. Blanksby, and G.B. Ellison Acc. Chem. Res. 36 2003 255
5. B.J. Costa Cabral, and S. Canuto Chem. Phys. Lett. 406 2005 300
6. D.G. Truhlar Chem. Phys. Lett. 294 1998 45
7. N.D. Lebedeva, and Yu.A. Katin Russ. J. Phys. Chem. (Engl. Transl.) 46 1972 1088
8. J.B. Pedley Thermochemical Data and Structures of Organic Compounds vol. I 1994 Thermodynamics Research Center College Station, TX
9. M.H. Abraham, P.L. Grellier, D.V. Prior, P.P. Duce, J.J. Morris, and P.J. Taylor J. Chem. Soc., Perkins Trans. 2 1990 521
10. R.C. Guedes, K. Coutinho, B.J. Costa Cabral, and S. Canuto J. Phys. Chem. B 107 2003 4304
11. R.C. Guedes, K. Coutinho, B.J. Costa Cabral, S. Canuto, C.F. Correia, R.M. Borges dos Santos, and J.A. Martinho Simões J. Phys. Chem. A 107 2003 9197
12. P. Cabral do Couto, R.C. Guedes, B.J. Costa Cabral, and J.A. Martinho Simões J. Chem. Phys. 119 2003 7344
13. K. Coutinho, B.J. Costa Cabral, and S. Canuto Chem. Phys. Lett. 399 2004 534
14. L.A. Angel, and K.M. Erwin J. Phys. Chem. A 108 2004 8346
15. C.F. Correia, R.C. Guedes, R.M. Borges dos Santos, B.J. Costa Cabral, and J.A. Martinho Simões Phys. Chem. Chem. Phys. 6 2004 2109