ChelpG and QTAIM atomic charge and dipole models for the infrared fundamental intensities of the fluorochloromethanes.
| Autor: | Gomes, Thiago C. F.1, Viçozo da Silva Jr., João1, Vidal, Luciano N.1, Vazquez, Pedro A.1, Bruns, Roy E.1 Bruns@iqm.unicamp.br |
|---|---|
| Zdroj: | Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Oct2008, Vol. 121 Issue 3/4, p173-179. 7p. 2 Charts, 3 Graphs. |
| Databáze: | Academic Search Ultimate |
| Externí odkaz: |
|