Gaussian 09 D. 01 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Revision A 1, 2009 | 1203* | 2009 |
Potential energy surface crossings in organic photochemistry F Bernardi, M Olivucci, MA Robb Chemical Society Reviews 25 (5), 321-328, 1996 | 940 | 1996 |
A direct method for the location of the lowest energy point on a potential surface crossing MJ Bearpark, MA Robb, HB Schlegel Chemical physics letters 223 (3), 269-274, 1994 | 765 | 1994 |
Farkas, JB Foresman, JV Ortiz, J MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Cioslowski, DJ Fox, Gaussian 9, 1372-1377, 2009 | 716 | 2009 |
Application of unitary group methods to configuration interaction calculations D Hegarty, MA Robb Molecular Physics 38 (6), 1795-1812, 1979 | 526 | 1979 |
Laham, CY Peng, A MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Nanayakkara, M. Challacombe, PMW Gill, B. Johnson, W. Chen, MW Wong, C …, 1998 | 463 | 1998 |
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 | 393 | 2000 |
Direct minimization in mc scf theory. The quasi-newton method RHA Eade, MA Robb Chemical Physics Letters 83 (2), 362-368, 1981 | 369 | 1981 |
Gaussian 92/DFT, Revision G. 2, Gaussian MJ Frisch, GW Trucks, HB Schlegel, PMW Gill, BG Johnson, MW Wong, ... Inc., Pittsburgh, PA, 1993 | 368 | 1993 |
Farkas MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Foresman, JB, 2009 | 365 | 2009 |
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 | 365 | 1997 |
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 | 356 | 2002 |
Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis isomerization of the chromophore in the protein G Groenhof, M Bouxin-Cademartory, B Hess, SP De Visser, ... Journal of the American Chemical Society 126 (13), 4228-4233, 2004 | 330 | 2004 |
Gaussian 09, 2009 MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... There is no corresponding record for this reference, 2009 | 324 | 2009 |
A simple MC SCF perturbation theory: Orthogonal valence bond Møller-Plesset 2 (OVB MP2) JJW McDouall, K Peasley, MA Robb Chemical physics letters 148 (2-3), 183-189, 1988 | 313 | 1988 |
An MC-SCF study of the S1 and S2 photochemical reactions of benzene IJ Palmer, IN Ragazos, F Bernardi, M Olivucci, MA Robb Journal of the American Chemical Society 115 (2), 673-682, 1993 | 301 | 1993 |
Gaussian GE Scuseria, MA Robb, JR Cheeseman, G Scalmani, V Barone, ... Inc., Wallingford CT, 2009 | 293 | 2009 |
A direct derivative MC-SCF procedure N Yamamoto, T Vreven, MA Robb, MJ Frisch, HB Schlegel Chemical physics letters 250 (3-4), 373-378, 1996 | 288 | 1996 |
MC SCF gradient optimization of the H2CO→ H2+ CO transition structure HB Schlegel, MA Robb Chemical Physics Letters 93 (1), 43-46, 1982 | 281 | 1982 |
A novel algorithm for non-adiabatic direct dynamics using variational Gaussian wavepackets GA Worth, MA Robb, I Burghardt Faraday discussions 127, 307-323, 2004 | 280 | 2004 |