Zobrazeno 1 - 3
of 3
pro vyhledávání: '"and Akito Ehara"'
Publikováno v:
The Journal of Physical Chemistry A. 106:3580-3586
Normal vibration calculations were performed on 164 basic organic and inorganic compounds by the density functional method of B3LYP/6-311+G** using the wavenumber-linear scaling (WLS) method, in which essentially only one parameter is involved for th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19e360bcc5df5bec9e5820bd53b63ed0
https://doi.org/10.1021/jp013084m
https://doi.org/10.1021/jp013084m
Publikováno v:
Chemical Physics Letters. 325:477-483
Normal coordinate calculations were performed by the density functional method of B3LYP/6-311+G ∗∗ on 205 basic organic and inorganic compounds taken from the `Tables of Molecular Vibrational Frequencies' (T. Shimanouchi, 1972). The calculated wa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21e6792270a2e9b5aeec0e9538318155
https://doi.org/10.1016/s0009-2614(00)00680-1
https://doi.org/10.1016/s0009-2614(00)00680-1
Autor:
Priscilla, J.1 (AUTHOR), Arul Dhas, D.1 (AUTHOR) aruldhas@nmcc.ac.in, Hubert Joe, I.2 (AUTHOR), Ronaldo Anuf, A.3 (AUTHOR)
Publikováno v:
Polycyclic Aromatic Compounds. 2023, Vol. 43 Issue 6, p4817-4842. 26p.