Ground and low-lying excited states of PtCN and PdCN: theoretical investigation including spin–orbit coupling
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/content/pdf/10.1007/s00214-016-1886-9.pdf
Reference39 articles.
1. Ketta Mc J (1988) Encyclopedia of chemical processing and design, vol 27. Marcell Dekker, New York
2. DeYonker NJ, Yamaguchi Y, Allen WD, Pak C, Schaefer HF, Peterson KA (2004) Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition. J Chem Phys 120:4726–4741
3. Crawford P, Hu P (2007) Trends in C–O and C–N bond formations over transition metal surfaces: an insight into kinetic sensitivity in catalytic reactions. J Chem Phys 126:194706
4. Hirano T, Okuda R, Nagashima U, Tanaka K, Jensen P (2008) Ab initio molecular orbital study of ground and low-lying electronic states of NiCN. Chem Phys 346:13–22
5. DeYonker NJ (2014) What a difference a decade has not made: the murky electronic structure of iron monocyanide (FeCN) and iron monoisocyanide (FeNC). J Phys Chem A 119:215–223
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