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Uranyl extraction by N, N-dialkylamide ligands studied by static and dynamic DFT simulations MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Gaussian 9, 227, 2009 | 1238* | 2009 |
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Application of unitary group methods to configuration interaction calculations D Hegarty, MA Robb Molecular Physics 38 (6), 1795-1812, 1979 | 521 | 1979 |
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Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization R González-Luque, M Garavelli, F Bernardi, M Merchán, MA Robb, ... Proceedings of the National Academy of Sciences 97 (17), 9379-9384, 2000 | 380 | 2000 |
The C5H6NH2+ Protonated Shiff Base: An ab Initio Minimal Model for Retinal Photoisomerization M Garavelli, P Celani, F Bernardi, MA Robb, M Olivucci Journal of the American Chemical Society 119 (29), 6891-6901, 1997 | 360 | 1997 |
Direct minimization in mc scf theory. The quasi-newton method RHA Eade, MA Robb Chemical Physics Letters 83 (2), 362-368, 1981 | 360 | 1981 |
Ultrafast Decay of Electronically Excited Singlet Cytosine via a π,π* to nO,π* State Switch N Ismail, L Blancafort, M Olivucci, B Kohler, MA Robb Journal of the American Chemical Society 124 (24), 6818-6819, 2002 | 351 | 2002 |
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