A new partition of the atomic polar tensor: The benzene molecule

Chemical Physics Letters

Volumn 263, Issue 5, 1996, Pages 697-702

  Choi, Cheol Ho ^a   Kertesz, Miklos ^a  

^a GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030596227     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(96)01263-8     Document Type: Article

References (24)

1. [1] W.B. Person and J.H. Newton, J. Chem. Phys. 61 (1974) 1040.
2. [2] W.T. King and G.B. Mast, J. Phys. Chem. 80 (1976) 2521.
3. [3] R.S. Mulliken, J. Chem. Phys. 2 (1934) 782.
4. [4] C.A. Coulson, Spectrochim. Acta 14 (1959) 161.
5. [5] J.C. Decius, J. Mol. Spectrosc. 57 (1975) 348.
6. [6] M.M.C. Ferreira, J. Phys. Chem. 94 (1990) 3220.
7. [7] K.B. Wiberg and P.R. Rablen, J. Comp. Chem. 14 (1993) 1504.
8. [8] P.H. Guadagnini and R.E. Bruns, J. Am. Chem. Soc. 117 (1995) 4144.
9. [9] J. Cioslowski, J. Am. Chem. Soc. 111 (1989) 8333.
10. [10] R.F.W. Bader, Atoms in molecules. A quantum theory (Clarendon Press, Oxford, 1990).
11. [11] W. Kohn and L.J. Sham, Phys. Rev. A 140 (1965) 1133.
12. [12] B.C. Johnson, P.M.W. Gill and J.A. Pople, J. Chem. Phys. 98 (1993) 5612.
13. [13] N.C. Handy, C.W. Murray and R.D. Amos, J. Phys. Chem. 97 (1993) 4392.
14. [14] G. Rauhut and P. Pulay, J. Phys. Chem. 99 (1995) 3093.
15. [15] D. Steele and D.H. Whiffen, J. Mol. Spectrosc. 32 (1969) 265.
16. [16] R.E. Bruns and W.B. Person, J. Chem. Phys. 57 (1972) 324.
17. [17] C.A. Coulson, Valence (Oxford University Press, Oxford, 1951) p. 256.
18. [18] L. Goodman, A.G. Ozkabak and K.B. Wiberg, J. Chem. Phys. 91 (1989) 2069.
19. [19] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, DJ. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, and J.A. Pople, Gaussian 94 (Gaussian, Pittsburgh, PA, 1995).
20. [20] C. Lee, W. Yang and R.G. Parr, Phys. Rev. B 37 (1988) 785.
21. [21] P. Pulay, G. Fogarasi and J.E. Boggs, J. Chem. Phys. 74 (1981) 3999.
22. [22] H. Spedding and D.H. Whiffen, Proc. R. Soc. London Ser. A 238 (1956) 245.
23. [23] D. Steele and W. Wheatley, J. Mol. Spectrosc. 32 (1969) 260.
24. [24] Quoted by J. Overend, in: Infrared spectroscopy and molecular structure, ed. M. Davies (Elsevier, New York, 1968), p. 368.