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The effects of design modifications on the apparent coupling loss factors in SEA-like analysis

✍ Scribed by A.N. Thite; B.R. Mace

Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
331 KB
Volume
329
Category
Article
ISSN
0022-460X

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Factorial design analysis of the effects
Factorial design analysis of the effects of wave function modifications on calculated HC and CC stretching frequencies in H2CCHX and HCCX
✍ Mozart N. Ramos; Kelson C. Lopes; Victor H. Rusu; Regiane C.M.U. AraΓΊjo πŸ“‚ Article πŸ“… 2009 πŸ› Elsevier Science 🌐 English βš– 231 KB

Two-level factorial designs (FD) have been used to determine the effects of wave function modifications on calculated CH and CC harmonic stretching frequencies of the H 2 C@CHX and HC"CX molecules with X = H, CH 3 , F, Cl and CN. These modifications were treated at two levels, which consists in: (I)