A density functional study of the ground state electronic structure of phosphorus-porphyrins

Chemical Physics Letters

Volumn 376, Issue 3-4, 2003, Pages 329-337

  Delaere, David ^a   Tho Nguyen, Minh ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

NITROGEN; PHOSPHORUS; PORPHYRIN DERIVATIVE;

ANALYTIC METHOD; ARTICLE; ATOM; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; COMPARATIVE STUDY; DENSITY; ELECTRONICS; ENERGY; THEORY;

EID: 0141673216     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(03)01012-1     Document Type: Article

References (13)

1. Ghosh A. Kadish K.M., Smith K.M., Guilard R. The Porphyrin Handbook. Theoretical and Physical Characterization. vol. 7:2000;Academic Press, San Diego, CA.
2. K.M. Kadish, K.M. Smith, R. Guilard (Eds.), The Porphyrin Handbook, Applications: Past, Present and Future, vol. 6, Academic Press, San Diego, CA, 2000.
3. Baerends E.J., Ricciardi G., Rosa A., van Gisbergen S.J.A. Coord. Chem. Rev. 230:2002;5.
4. Latos-Grażyński L. Kadish K.M., Smith K.M., Guilard R. The Porphyrin Handbook. Heteroporphyrins, Expanded Porphyrins and Related Macrocycles. vol. 2:2000;Academic Press, San Diego, CA.
5. Casida M.E. Chong D.P. Recent Advances in Density Functional Methods - Part I. 1995;155 World Scientific, Singapore.
6. M.J. Frisch et al., GAUSSIAN 98, Revision A.5, Gaussian, Inc., Pittsburgh PA, 1998.
7. R. Ahlrichs et al., TURBOMOLE, Version 5.0, University of Karlsruhe, Germany, 1998.
8. Parusel A.B.J., Ghosh A. J. Phys. Chem. A. 104:2000;2504.
9. Roos B.O., Fülscher M., Malmqvist P., Merchán M., Serrano-Andrés L. Langhoff S.R. Quantum Mechanical Structure Calculations with Chemical Accuracy. 1995;Kluwer Academic Publishers, Dordrecht, The Netherlands.
10. Edwards L., Dolphin D.H., Gouterman M., Adler A.D. J. Mol. Spectrosc. 38:1971;16.
11. Delaere D., Nguyen M.T., Vanquickenborne L.G. Phys. Chem. Chem. Phys. 4:2002;1522.
12. Delaere D., Nguyen M.T., Vanquickenborne L.G. J. Phys. Chem. A. 107:2002;836.
13. Kiran B., Nguyen M.T. J. Organomet. Chem. 643:2002;2002.