Interaction of meso — tetrakis (p-sulphonato phenyl) porphyrin (hereafter abbreviated to TSPP) with Na+ has been examined using HF level of theory with 6-31G* basis set. Counterpoise (CP) correction has been used to show the extent of the basis set superposition error (BSSE) on the potential energy curves. The numbers of Na+ have a significant effect on the calculated potential energy curve (including position, depth, and width of the potential well).
Naderi, F., Yari, M., Mollaamin, F., Ilkhani, A., Khaleghian, M., Monajjemi, M., & Khodayari, N. (2009). A New Modification of Morse Potential Energy Function. Journal of Physical & Theoretical Chemistry, 5(4), 7-12.
MLA
F. Naderi; M. Yari; F. Mollaamin; A.R. Ilkhani; M. Khaleghian; M. Monajjemi; N. Khodayari. "A New Modification of Morse Potential Energy Function". Journal of Physical & Theoretical Chemistry, 5, 4, 2009, 7-12.
HARVARD
Naderi, F., Yari, M., Mollaamin, F., Ilkhani, A., Khaleghian, M., Monajjemi, M., Khodayari, N. (2009). 'A New Modification of Morse Potential Energy Function', Journal of Physical & Theoretical Chemistry, 5(4), pp. 7-12.
VANCOUVER
Naderi, F., Yari, M., Mollaamin, F., Ilkhani, A., Khaleghian, M., Monajjemi, M., Khodayari, N. A New Modification of Morse Potential Energy Function. Journal of Physical & Theoretical Chemistry, 2009; 5(4): 7-12.
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