Ab initio molecular force fields fitted in Cartesian...

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Ab initio molecular force fields fitted in Cartesian coordinates to experimental frequencies of isotopic species using symmetry constraints: application to indole and pyrrole molecules

Kochikov, I. V., Stepanova, A. V., Kuramshina, G. M.
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Language:
english
Journal:
Structural Chemistry
DOI:
10.1007/s11224-018-1262-6
Date:
January, 2019
File:
PDF, 586 KB
english, 2019
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