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Source: The Journal of Physical Chemistry A. 2022. Vol. 126, № 16. P. 2445-2452
Type: статьи в журналах
Date: 2022
Description:
Cyclo[n]carbons (n = 5, 7, 9,..., 29) composed from an odd number of carbon atoms are studied computationally at density functional theory (DFT) and ab initio complete active space self-consistent fie
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Source: Chemical physics letters. 2016. Vol. 661. P. 48-52
Type: статьи в журналах
Date: 2016
Description:
Two recently synthesized copper(II) complexes with spacer-armed bispicolylamidrazone ligands have been theoretically studied at the density functional theory (DFT) level accounting for empirical dispe
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Source: Molecular simulation. 2013. Vol. 39, № 8. P. 660-669
Type: статьи в журналах
Date: 2013