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Mean amplitudes and shrinkages for SiH3NCO and SiH3NCS

✍ Scribed by S.J. Cyvin; J. Brunvoll; A.G. Robiette


Book ID
103008531
Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
429 KB
Volume
11
Category
Article
ISSN
0009-2614

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✦ Synopsis


Mean amplitudes and shrinkages ye czkulated from spectroscopic data for SiHsNCO.SDsNC33,S;HaNCs and SiD3NCS. The lowest frequency (vlo) in each of the mokcules is uncertain, and its influence on the caIu&.ted amplitude parameters is investigated. The results are compared with electron diffraction studies.


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## Abstract The multiple‐channel reactions SiH~3~ + SiH~3~CH~3~ β†’ products and SiH~3~ + SiH~2~(CH~3~)~2~ β†’ products are investigated by direct dynamics method. The minimum energy path (MEP) is calculated at the MP2/6‐31+G(d,p) level, and energetic information is further refined by the MC‐QCISD meth