|
|||||
|
|
Protonation of Cubane in the Gas Phase: A High‐Level Ab Initio and DFT Study |
|
| Authors: | José‐Luis M Abboud Prof Dr Ilmar A Koppel Prof Dr Juan Z Dávalos Dr Peeter Burk Prof Dr Ivar Koppel Dr Esther Quintanilla Eng |
| Institution: | 1. Instituto de Química Física “Rocasolano”, CSIC, C/Serrano, 119, 28006 Madrid, Spain, Fax: (+34) 91‐585‐5184;2. Institute of Chemical Physics, University of Tartu, 2 Jakobi St. 51014 Tartu, Estonia, Fax: (+372) 7‐375‐264 |
| Abstract: | |
| Keywords: | Ab‐initio‐Rechnungen Basizitä t Cubane Dichtefunktionalrechnungen Gasphasenreaktionen |