| scholarly article | Q13442814 |
| P50 | author | Thomas B. Rauchfuss | Q2422167 |
| Danielle L. Gray | Q55294184 | ||
| Cindy C Pham | Q57545884 | ||
| Pei-Hua Zhao | Q84423487 | ||
| Wenguang Wang | Q87651038 | ||
| Vladimir Pelmenschikov | Q42529825 | ||
| P2093 | author name string | Stephen P Cramer | |
| Hongxin Wang | |||
| Leland B Gee | |||
| Casseday P Richers | |||
| Michaela R Carlson | |||
| P2860 | cites work | Density-functional exchange-energy approximation with correct asymptotic behavior | Q21709057 |
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| Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy | Q27323823 | ||
| Density-functional approximation for the correlation energy of the inhomogeneous electron gas | Q27440259 | ||
| Structural and functional analogues of the active sites of the [Fe]-, [NiFe]-, and [FeFe]-hydrogenases | Q28244779 | ||
| Influence of the [2Fe]H subcluster environment on the properties of key intermediates in the catalytic cycle of [FeFe] hydrogenases: hints for the rational design of synthetic catalysts | Q50453418 | ||
| A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions | Q58201162 | ||
| Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase | Q59618726 | ||
| A Mixed-Valent, Fe(II)Fe(I), Diiron Complex Reproduces the Unique Rotated State of the [FeFe]Hydrogenase Active Site | Q59618758 | ||
| Carbon monoxide dehydrogenase reaction mechanism: a likely case of abnormal CO2 insertion to a Ni-H(-) bond. | Q64942799 | ||
| Observation of nuclear resonant scattering accompanied by phonon excitation using synchrotron radiation | Q74557622 | ||
| Phonon density of states measured by inelastic nuclear resonant scattering | Q74557625 | ||
| Lewis vs. Brønsted-basicities of diiron dithiolates: spectroscopic detection of the "rotated structure" and remarkable effects of ethane- vs. propanedithiolate | Q80828302 | ||
| The electronic structure of the H-cluster in the [FeFe]-hydrogenase from Desulfovibrio desulfuricans: a Q-band 57Fe-ENDOR and HYSCORE study | Q80851366 | ||
| DFT characterization of the reaction pathways for terminal- to μ-hydride isomerisation in synthetic models of the [FeFe]-hydrogenase active site | Q85209040 | ||
| Identification and characterization of the "super-reduced" state of the H-cluster in [FeFe] hydrogenase: a new building block for the catalytic cycle? | Q85311683 | ||
| Investigations on the role of proton-coupled electron transfer in hydrogen activation by [FeFe]-hydrogenase | Q85688779 | ||
| A sterically stabilized FeI-FeI semi-rotated conformation of [FeFe] hydrogenase subsite model | Q86085493 | ||
| Dynamics of the [4Fe-4S] cluster in Pyrococcus furiosus D14C ferredoxin via nuclear resonance vibrational and resonance Raman spectroscopies, force field simulations, and density functional theory calculations. | Q30466601 | ||
| Characterization of the Fe site in iron-sulfur cluster-free hydrogenase (Hmd) and of a model compound via nuclear resonance vibrational spectroscopy (NRVS). | Q30487338 | ||
| Terminal vs bridging hydrides of diiron dithiolates: protonation of Fe2(dithiolate)(CO)2(PMe3)4. | Q30574610 | ||
| Small molecule mimics of hydrogenases: hydrides and redox | Q33393660 | ||
| Fe-H/D stretching and bending modes in nuclear resonant vibrational, Raman and infrared spectroscopies: comparisons of density functional theory and experiment | Q34681898 | ||
| The multifarious world of transition metal hydrides | Q35606431 | ||
| Mixed-valence nickel-iron dithiolate models of the [NiFe]-hydrogenase active site. | Q35784352 | ||
| IR-monitored photolysis of CO-inhibited nitrogenase: a major EPR-silent species with coupled terminal CO ligands | Q35835570 | ||
| EPR/ENDOR, Mössbauer, and quantum-chemical investigations of diiron complexes mimicking the active oxidized state of [FeFe]hydrogenase | Q36169602 | ||
| Isomerization of the hydride complexes [HFe2(SR)2(PR3)(x)(CO)(6-x)]+ (x = 2, 3, 4) relevant to the active site models for the [FeFe]-hydrogenases | Q36333280 | ||
| Synthetic models for the active site of the [FeFe]-hydrogenase: catalytic proton reduction and the structure of the doubly protonated intermediate | Q36445476 | ||
| Observation of the Fe-CN and Fe-CO vibrations in the active site of [NiFe] hydrogenase by nuclear resonance vibrational spectroscopy | Q36504095 | ||
| Diiron azadithiolates as models for the [FeFe]-hydrogenase active site and paradigm for the role of the second coordination sphere | Q36701939 | ||
| Spectroscopic Investigations of [FeFe] Hydrogenase Maturated with [(57)Fe2(adt)(CN)2(CO)4](2-) | Q36706563 | ||
| Terminal hydride in [FeFe]-hydrogenase model has lower potential for H2 production than the isomeric bridging hydride | Q36712944 | ||
| Unsaturated, mixed-valence diiron dithiolate model for the H(ox) state of the [FeFe] hydrogenase | Q36712949 | ||
| Characterization of [4Fe-4S] cluster vibrations and structure in nitrogenase Fe protein at three oxidation levels via combined NRVS, EXAFS, and DFT analyses | Q36816897 | ||
| Synthesis of Diiron(I) Dithiolato Carbonyl Complexes | Q37067812 | ||
| Ferrous Carbonyl Dithiolates as Precursors to FeFe, FeCo, and FeMn Carbonyl Dithiolates | Q37723509 | ||
| Hydrogenases | Q38198124 | ||
| Proton Transfer in the Catalytic Cycle of [NiFe] Hydrogenases: Insight from Vibrational Spectroscopy | Q38834924 | ||
| Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides | Q38880043 | ||
| Photosynthetic fuel for heterologous enzymes: the role of electron carrier proteins | Q39174679 | ||
| Refining the active site structure of iron-iron hydrogenase using computational infrared spectroscopy | Q40118845 | ||
| Accumulating the hydride state in the catalytic cycle of [FeFe]-hydrogenases | Q41109807 | ||
| Redox and structural properties of mixed-valence models for the active site of the [FeFe]-hydrogenase: progress and challenges | Q41892748 | ||
| A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu | Q43084146 | ||
| Crystallographic characterization of a fully rotated, basic diiron dithiolate: model for the H(red) state? | Q43682544 | ||
| Series of mixed valent Fe(II)Fe(I) complexes that model the Hox state of [FeFe]hydrogenase: redox properties, density-functional theory investigation, and reactivities with extrinsic CO. | Q43845154 | ||
| Hydrogen and oxygen trapping at the H-cluster of [FeFe]-hydrogenase revealed by site-selective spectroscopy and QM/MM calculations. | Q46305621 | ||
| Bridging Hydride at Reduced H-Cluster Species in [FeFe]-Hydrogenases Revealed by Infrared Spectroscopy, Isotope Editing, and Quantum Chemistry. | Q46318518 | ||
| Direct Observation of an Iron-Bound Terminal Hydride in [FeFe]-Hydrogenase by Nuclear Resonance Vibrational Spectroscopy. | Q46404435 | ||
| Reaction Coordinate Leading to H2 Production in [FeFe]-Hydrogenase Identified by Nuclear Resonance Vibrational Spectroscopy and Density Functional Theory | Q46451346 | ||
| DFT dissection of the reduction step in H2 catalytic production by [FeFe]-hydrogenase-inspired models: can the bridging hydride become more reactive than the terminal isomer? | Q46671270 | ||
| Hydride binding to the active site of [FeFe]-hydrogenase. | Q46818206 | ||
| New reactions of terminal hydrides on a diiron dithiolate. | Q46915282 | ||
| Identification of a Catalytic Iron-Hydride at the H-Cluster of [FeFe]-Hydrogenase | Q48052091 | ||
| P433 | issue | 4 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 1988-2001 | |
| P577 | publication date | 2018-01-31 | |
| P1433 | published in | Inorganic Chemistry | Q902828 |
| P1476 | title | Sterically Stabilized Terminal Hydride of a Diiron Dithiolate | |
| P478 | volume | 57 |
| Q88920631 | High-Frequency Fe-H Vibrations in a Bridging Hydride Complex Characterized by NRVS and DFT |
| Q91840369 | Spectroscopic and Computational Evidence that [FeFe] Hydrogenases Operate Exclusively with CO-Bridged Intermediates |
| Q89162648 | Terminal Hydride Species in [FeFe]-Hydrogenases Are Vibrationally Coupled to the Active Site Environment |
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