Zobrazeno 1 - 2
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pro vyhledávání: '"Inga Respondek"'
Publikováno v:
Chemical Physics. 347:514-522
Two novel spin crossover (SCO) compounds, namely [Fe(INMe)(pyN 4 )]Br 2 , and [Fe(IMMe)(pyN 4 )](OTf) 2 , where pyN 4 = 2,6-Bis(1′,3′-diamino-2′methyl-prop-2′yl)pyridine, INMe = isonicotinic acid methyl ester, IMMe = N -methyl-imidazole, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::49b556ac9ddae02b1e2a1e0e2c9b09f9
https://doi.org/10.1016/j.chemphys.2007.11.014
https://doi.org/10.1016/j.chemphys.2007.11.014
Autor:
Inga Respondek, David M. Benoit
Publikováno v:
The Journal of chemical physics. 131(5)
We introduce a fast degeneracy-corrected vibrational second-order Moller–Plesset (fast-DCVMP2) method to compute anharmonic vibrational spectra of large molecules where the computational cost of the full potential energy surface is high. We examine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a2bb56533526d5c938c156934a8a685
https://pubmed.ncbi.nlm.nih.gov/19673553
https://pubmed.ncbi.nlm.nih.gov/19673553