This is the public archive with ID 0bafb187ff3a0245e4a0c676bd5a945c created on 2024-07-12 09:43:18 by Casper Vindahl Jensen, CHEM <cvj@chem.ku.dk>.

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Author(s)

Casper Vindahl Jensen, Emil Vogt, Andras Sun Poulsen, Henrik G. Kjaergaard

Title

MeOH Clusters Room Temperature

Description

Gaussian output files in tar file from all reduced dim. VPT2 calculations

.Chk files on full dimensional VPT2 calculations at wB and B3 levels of theory

1D local mode calculations with B3 and wB

txt XY files of all spectra

.dpt raw data files

python script that generates figures and the spectra used in paper

Archive DOI Data

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