| Structure of the oxygen-evolving complex of photosystem II: information on the S 2 state through quantum chemical calculation of its magnetic properties DA Pantazis, M Orio, T Petrenko, S Zein, W Lubitz, J Messinger, F Neese Physical Chemistry Chemical Physics 11 (31), 6788-6798, 2009 | 145 | 2009 |
| A new quantum chemical approach to the magnetic properties of oligonuclear transition‐metal complexes: application to a model for the Tetranuclear manganese cluster of … DA Pantazis, M Orio, T Petrenko, S Zein, E Bill, W Lubitz, J Messinger, ... Chemistry–A European Journal 15 (20), 5108-5123, 2009 | 143 | 2009 |
| A systematic density functional study of the zero-field splitting in Mn (II) coordination compounds S Zein, C Duboc, W Lubitz, F Neese Inorganic chemistry 47 (1), 134-142, 2008 | 140 | 2008 |
| Origin of the Zero-Field Splitting in Mononuclear Octahedral Dihalide MnII Complexes: An Investigation by Multifrequency High-Field Electron Paramagnetic … C Duboc, T Phoeung, S Zein, J Pécaut, MN Collomb, F Neese Inorganic chemistry 46 (12), 4905-4916, 2007 | 127 | 2007 |
| Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same? S Zein, SA Borshch, P Fleurat-Lessard, ME Casida, H Chermette The Journal of chemical physics 126 (1), 2007 | 125 | 2007 |
| Cooperative Spin Crossover and Order−Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO4)2 [DAPP = [Bis(3-aminopropyl)(2 … GS Matouzenko, A Bousseksou, SA Borshch, M Perrin, S Zein, L Salmon, ... Inorganic chemistry 43 (1), 227-236, 2004 | 114 | 2004 |
| Energetics of binuclear spin transition complexes S Zein, SA Borshch Journal of the American Chemical Society 127 (46), 16197-16201, 2005 | 93 | 2005 |
| Ab Initio and Coupled-Perturbed Density Functional Theory Estimation of Zero-Field Splittings in MnII Transition Metal Complexes S Zein, F Neese The Journal of Physical Chemistry A 112 (34), 7976-7983, 2008 | 86 | 2008 |
| Focusing the view on nature's water-splitting catalyst S Zein, LV Kulik, J Yano, J Kern, Y Pushkar, A Zouni, VK Yachandra, ... Philosophical Transactions of the Royal Society B: Biological Sciences 363 …, 2008 | 81 | 2008 |
| Wavelength selective light-induced magnetic effects in the binuclear spin crossover compound NO Moussa, E Trzop, S Mouri, S Zein, G Molnár, AB Gaspar, E Collet, ... Physical Review B 75 (5), 054101, 2007 | 57 | 2007 |
| Spin Crossover Phenomenon Accompanying Order−Disorder Phase Transition in the Ligand of [FeII(DAPP)(abpt)](ClO4)2 Compound (DAPP = Bis(3 … Y Miyazaki, T Nakamoto, S Ikeuchi, K Saito, A Inaba, M Sorai, T Tojo, ... The Journal of Physical Chemistry B 111 (43), 12508-12517, 2007 | 45 | 2007 |
| Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O− S Zein, JV Ortiz The Journal of chemical physics 135 (16), 2011 | 38 | 2011 |
| A TD-DFT investigation of two-photon absorption of fluorene derivatives S Zein, F Delbecq, D Simon Physical Chemistry Chemical Physics 11 (4), 694-702, 2009 | 31 | 2009 |
| The Catalytic Mn2+ Sites in the Enolase−Inhibitor Complex: Crystallography, Single-Crystal EPR, and DFT Calculations R Carmieli, TM Larsen, GH Reed, S Zein, F Neese, D Goldfarb Journal of the American Chemical Society 129 (14), 4240-4252, 2007 | 30 | 2007 |
| A Two‐Step Spin Transition and Order–Disorder Phenomena in the Mononuclear Compound [Fe(Hpy‐DAPP)](BF4)2 GS Matouzenko, D Luneau, G Molnár, N Ould‐Moussa, S Zein, ... European journal of inorganic chemistry 2006 (13), 2671-2682, 2006 | 30 | 2006 |
| Quantum Chemical Study of Three Polymorphs of the Mononuclear Spin-Transition Complex [Fe(DPPA)(NCS)2] S Zein, GS Matouzenko, SA Borshch The Journal of Physical Chemistry A 109 (38), 8568-8571, 2005 | 24 | 2005 |
| Density functional estimations of Heisenberg exchange constants in oligonuclear magnetic compounds: Assessment of density functional theory versus ab initio S Zein, M Poor Kalhor, LF Chibotaru, H Chermette The Journal of chemical physics 131 (22), 2009 | 19 | 2009 |
| Quantum-chemical studies of the spin transition complex [Fe (DAPP)(abpt)](ClO4) 2 S Zein, GS Matouzenko, SA Borshch Chemical physics letters 397 (4-6), 475-478, 2004 | 19 | 2004 |
| Investigation of the Two-Step Spin Crossover Complex Fe[5-NO2-sal-(1,4,7,10)] Using Density Functional Theory T Guillon, L Salmon, G Molnár, S Zein, S Borshch, A Bousseksou The Journal of Physical Chemistry A 111 (33), 8223-8228, 2007 | 14 | 2007 |
| Interpretation of the photoelectron spectra of superalkali species: Na3O and Na3O− S Zein, JV Ortiz The Journal of Chemical Physics 136 (22), 2012 | 13 | 2012 |
Frank NeeseMax Planck Institute für KohlenforschungVerified email at kofo.mpg.de
