Structural and electronic properties of porphyrin skeleton of chlorophyll

2002-03-01
Erkoç, Şakir
Erkoc, F
The structural and electronic properties of porphyrin skeleton of chlorophyll have been investigated theoretically by performing semi-empirical and ab-initio molecular orbital theory calculations. The geometry of the system has been optimized considering the semi-empirical molecular orbital theory at the level of PM3, and the electronic properties of the system have been calculated by ab-initio restricted Hartree-Fock (RHF) with full MP2 correlation correction in the ground state included.

Citation Formats
Ş. Erkoç and F. Erkoc, “Structural and electronic properties of porphyrin skeleton of chlorophyll,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol. 579, pp. 41–44, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51018.