Взаимосвязь первых потенциалов ионизации и интегральных сил осцилляторов электронных спектров для азотосодержащих природных соединений
2011
A correlation of the first adiabatic ionization potential of the nitrogen containing natural compounds molecules and the integral characteristics of the absorption in the UV and the visible spectral ranges has stated by the authors. A correlation of the integrated oscillators strength, defined in the range 200-500nm and the energies of highest occupied molecular orbitals, defined by PM3 and RHF 3 21 G methods were shown by the authors. The correlations has confirmed by calculations and statistic data processing on specially developed algorithms and programs.
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