Internal rotation arena: Program performances on the low barrier problem of 4-methylacetophenone

Volume: 155, Issue: 22
Published: Dec 8, 2021
Abstract
In the rotational spectroscopy community, several popular codes are available to treat multiple internal rotors in a molecule. In terms of the pros and cons of each code, it is often a difficult task to decide which program to apply to a specific internal rotation problem. We faced this issue when dealing with the spectroscopic fingerprint of 4-methylacetophenone (4MAP), recently investigated in the microwave region, which we here extended into...
Paper Details
Title
Internal rotation arena: Program performances on the low barrier problem of 4-methylacetophenone
Published Date
Dec 8, 2021
Volume
155
Issue
22
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