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Calculation of infrared spectra for adsorbed molecules from the dipole autocorrelation function

Authors :
Luiza Buimaga-Iarinca
Cristian Morari
Source :
Theoretical Chemistry Accounts. 141
Publication Year :
2022
Publisher :
Springer Science and Business Media LLC, 2022.

Subjects

Subjects :
Physical and Theoretical Chemistry

Details

ISSN :
14322234 and 1432881X
Volume :
141
Database :
OpenAIRE
Journal :
Theoretical Chemistry Accounts
Accession number :
edsair.doi...........4997f0013ba3ff8ed33d9daf6835a101
Full Text :
https://doi.org/10.1007/s00214-022-02932-3
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