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Is the c State of CH2 Linear or Bent?The c state of CH2 is found to be bent at the highest levels of theory used in this work, but the energy difference between the linear and bent geometries is only about 10 cm(exp -1). Improving the basis set or correlation treatment favor the linear geometry over the bent, thus it is impossible to definitively determine if the c state has a barrier in its bending potential.
Document ID
20020034754
Acquisition Source
Ames Research Center
Document Type
Abstract
Authors
Bauschlicher, Charles W., Jr.
(NASA Ames Research Center Moffett Field, CA United States)
Arnold, James O.
Date Acquired
August 20, 2013
Publication Date
January 1, 1996
Subject Category
Atomic And Molecular Physics
Funding Number(s)
PROJECT: RTOP 242-80-01
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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