검색결과 : 69건
| No. | Article |
|---|---|
| 1 |
Electronic structure and chemical bonding in W-2 molecule Borin AC, Gobbo JP, Roos BO Chemical Physics Letters, 490(1-3), 24, 2010 |
| 2 |
On the Analysis of the Cr-Cr Multiple Bond in Several Classes of Dichromium Compounds La Macchia G, Manni GL, Todorova TK, Brynda M, Aquilante F, Roos BO, Gagliardi L Inorganic Chemistry, 49(11), 5216, 2010 |
| 3 |
Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds Wang XF, Andrews L, Malmqvist PA, Roos BO, Goncalves AP, Pereira CCL, Marcalo J, Godart C, Villeroy B Journal of the American Chemical Society, 132(24), 8484, 2010 |
| 4 |
Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry Brynda M, Gagliardi L, Roos BO Chemical Physics Letters, 471(1-3), 1, 2009 |
| 5 |
As UF3 Molecule with a Weak Triple Bond to Uranium Andrews L, Wang XF, Roos BO Inorganic Chemistry, 48(14), 6594, 2009 |
| 6 |
Experimental and Theoretical Investigation of Simple Terminal Group 6 Arsenide As MF3 Molecules Wang XF, Andrews L, Knitter M, Malmqvist PA, Roos BO Journal of Physical Chemistry A, 113(21), 6064, 2009 |
| 7 |
Covalent vs Electrostatic Interactions in Rare Earth Systems: A Comparative Study of U(III), U(IV), and U(V) and Nd(III) Bonding Properties by DFT and CAS-PT2 Approaches Vetere V, Maldivi P, Roos BO, Adamo C Journal of Physical Chemistry A, 113(52), 14760, 2009 |
| 8 |
The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2) De Vico L, Pegado L, Heimdal J, Soderhjelm P, Roos BO Chemical Physics Letters, 461(1-3), 136, 2008 |
| 9 |
Bond Length and Bond Order in One of the Shortest Cr-Cr Bonds La Macchia G, Aquilante F, Veryazov V, Roos BO, Gagliardi L Inorganic Chemistry, 47(24), 11455, 2008 |
| 10 |
A combined theoretical and experimental study of simple terminal group 6 nitride and phosphide N MX3 and P MX3 molecules Wang XF, Andrews L, Lindh R, Veryazov V, Roos BO Journal of Physical Chemistry A, 112(35), 8030, 2008 |