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stationary points
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second derivatives of the molecular total energies are important in characterizing
stationary points
on energy hypersurfaces, as well as in performing harmonic vibrational analysis
вторые производные молекулярной полной энергии важны для охарактеризации стационарных точек на гиперповерхностях потенциальной энергии, а также для осуществления гармонического колебательного анализа
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