共 7 条
- [1] Excited-state contributions to ground-state properties of mixed-valence dimers: Spectral and electronic-structural studies of [Fe-2(OH)(3)(tmtacn)(2)](2+) related to the [Fe2S2](+) active sites of plant-type ferredoxinsJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (34) : 8085 - 8097Gamelin, DRBominaar, ELKirk, MLWieghardt, KSolomon, EI
- [2] Excited-state distortions and electron delocalization in mixed-valence dimers: Vibronic analysis of the near-IR absorption and resonance Raman profiles of [Fe-2(OH)(3)(tmtacn)(2)](2+)INORGANIC CHEMISTRY, 1996, 35 (15) : 4323 - 4335Gamelin, DRBominaar, ELMathoniere, CKirk, MLWieghardt, KGirerd, JJSolomon, EI
- [3] Density functional modeling of double exchange interactions in transition metal complexes.: Calculation of the ground and excited state properties of [Fe2(OH)3(tmtacn)2]2+JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (33) : 8357 - 8365Barone, VBencini, ACiofini, IDaul, CATotti, F
- [5] Calculation of the ground and excited states of a mixed valence compound [Fe2(OH)3(NH3)6]2+ :: A class II or class III compound?INORGANIC CHEMISTRY, 2004, 43 (04) : 1411 - 1420Carissan, YHeully, JLAlary, FDaudey, JP
- [7] DFT/TDDFT Exploration of the Potential Energy Surfaces of the Ground State and Excited States of Fe2(S2C3H6)(CO)6: A Simple Functional Model of the [FeFe] Hydrogenase Active SiteJOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (19): : 5657 - 5670Bertini, LucaGreco, ClaudioDe Gioia, LucaFantucci, Piercarlo
