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.Language:
english
Journal:
Structural Chemistry
DOI:
10.1007/s11224-018-1262-6
Date:
January, 2019
File:
PDF, 586 KB
english, 2019