Ab initio molecular orbital investigation of the unimolecular decomposition of CH[sub 3]SiH[sub 2][sup +]

Mark S Gordon, Lisa A Pederson,Ray Bakhtiar,Denley B Jacobson

The Journal of Physical Chemistry(1995)

引用 23|浏览3
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关键词
analytical chemistry,molecular orbital,electronic structure,potential energy surface,hartree fock,activation energy,quantum mechanics,chemical reaction,charged particles,saddle point
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