Vibrational Spectrum of '3-iodo-2-propynenitrile (IC3N)' from accurate CCSD(T)-F12b/MP2-F12 potential energy surface.

Autor: Pouchan, Claude1 (AUTHOR) Claude.pouchan@univ-pau.fr, Dargelos, Alain1 (AUTHOR), Karamanis, Panaghiotis1 (AUTHOR)
Zdroj: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Nov2022, Vol. 141 Issue 11, p1-7. 7p.
Databáze: Academic Search Ultimate
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