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Source: Journal of chemical physics. 2015. Vol. 142, № 9. P. 094118-1-094118-13
Type: статьи в журналах
Date: 2015
Description:
A simultaneous use of the full molecular symmetry and of an exact kinetic energy operator (KEO) is of key importance for accurate predictions of vibrational levels at a high energy range from a potent
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Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2015. Vol. 164. P. 207-220
Type: статьи в журналах
Date: 2015
Description:
Accurate basis set convergence of first-principles predictions of rotationally resolved spectra at high energy range is a common challenging issue for variational methods. In this paper, a detailed co
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Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2015. Vol. 161. P. 203-214
Type: статьи в журналах
Date: 2015
Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2015. Vol. 152. P. 84-93
Type: статьи в журналах
Date: 2015
Description:
The present contribution is devoted to the analysis of three extremely weak A-type bands of 16O3 recorded near 7686, 7739 and 7860 cm−1i.e. only a few % below the dissociation limit, D0, at about 8560
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Source: Journal of Quantitative Spectroscopy and Radiative Transfer. 2015. Vol. 167. P. 53-63
Type: статьи в журналах
Date: 2015
Description:
The temperature dependence of the methane 12CH4 partition function was investigated up to T=3000 K. The ro-vibrational energy levels were calculated using high-order contact transformation (CT) method
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