검색결과 : 20건
| No. | Article |
|---|---|
| 1 |
Superior Photoprotective Motifs and Mechanisms in Eumelanins Uncovered Corani A, Huijser A, Gustavsson T, Markovitsi D, Malmqvist PA, Pezzella A, d'Ischia M, Sundstrom V Journal of the American Chemical Society, 136(33), 11626, 2014 |
| 2 |
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 |
| 3 |
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 |
| 4 |
New Relativistic Atomic Natural Orbital Basis Sets for Lanthanide Atoms with Applications to the Ce Diatom and LuF3 Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO, Borin AC Journal of Physical Chemistry A, 112(45), 11431, 2008 |
| 5 |
Infrared spectrum and bonding in uranium methylidene dihydride, CH2=UH2 Lyon JT, Andrews L, Malmqvist PA, Roos BO, Yang TX, Bursten BE Inorganic Chemistry, 46(12), 4917, 2007 |
| 6 |
Exploring the actinide-actinide bond: Theoretical studies of the chemical bond in Ac-2, Th-2, Pa-2, and U-2 Roos BO, Malmqvist PA, Gagliardi L Journal of the American Chemical Society, 128(51), 17000, 2006 |
| 7 |
New relativistic ANO basis sets for actinide atoms Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO Chemical Physics Letters, 409(4-6), 295, 2005 |
| 8 |
New relativistic ANO basis sets for transition metal atoms Roos BO, Lindh R, Malmqvist PA, Veryazov V, Widmark PO Journal of Physical Chemistry A, 109(29), 6575, 2005 |
| 9 |
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2) Ghigo G, Roos BO, Malmqvist PA Chemical Physics Letters, 396(1-3), 142, 2004 |
| 10 |
Spin-orbit ab initio study of alkyl halide dissociation via electronic curve crossing Ajitha D, Wierzbowska M, Lindh R, Malmqvist PA Journal of Chemical Physics, 121(12), 5761, 2004 |