On the photochemistry of Fe2 (edt)(CO)4 (PMe3 )2 , a [FeFe]-hydrogenase model: A DFT/TDDFT investigation

Photoinhibition of FeFe Hydrogenase

(2017) Matteo Sensi et al.   ACS Catalysis

Synergistic Effects of Metals in a Promising RuII−PtIIAssembly for a Combined Anticancer Approach: Theoretical Exploration of the Photophysical Properties

(2016) Marta E. Alberto et al.   CHEMISTRY-A EUROPEAN JOURNAL

Reactivity of the Excited States of the H-Cluster of FeFe Hydrogenases

(2016) Matteo Sensi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photochemical reactivity of a binuclear Fe(I)–Fe(I) hydrogenase model compound with cyano ligands

(2016) Andrew Hunt et al.   POLYHEDRON

Cover Picture: Sandmeyer-Type Trifluoromethylthiolation and Trifluoromethylselenolation of (Hetero)Aromatic Amines Catalyzed by Copper (Chem. Eur. J. 1/2016)

(2015) Christian Matheis et al.   CHEMISTRY-A EUROPEAN JOURNAL

Silicon-Heteroaromatic [FeFe] Hydrogenase Model Complexes: Insight into Protonation, Electrochemical Properties, and Molecular Structures

(2015) Roman Goy et al.   CHEMISTRY-A EUROPEAN JOURNAL

Intramolecular CH Activation and Metallacycle Aromaticity in the Photochemistry of [FeFe]-Hydrogenase Model Compounds in Low-Temperature Frozen Matrices

(2015) Wyatt A. Thornley et al.   CHEMISTRY-A EUROPEAN JOURNAL

TD-DFT Benchmark on Inorganic Pt(II) and Ir(III) Complexes

(2015) Camille Latouche et al.   Journal of Chemical Theory and Computation

TDDFT modeling of the CO-photolysis of Fe2(S2C3H6)(CO)6, a model of the [FeFe]-hydrogenase catalytic site

(2014) Luca Bertini et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?

(2014) Manoj K. Kesharwani et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Vibrational Cooling Dynamics of a [FeFe]-Hydrogenase Mimic Probed by Time-Resolved Infrared Spectroscopy

(2014) Benjamin W. Caplins et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Investigation of the Ultrafast Dynamics Occurring during Unsensitized Photocatalytic H2 Evolution by an [FeFe]-Hydrogenase Subsite Analogue

(2014) Pim W. J. M. Frederix et al.   ORGANOMETALLICS

Bridging-hydride influence on the electronic structure of an [FeFe] hydrogenase active-site model complex revealed by XAES-DFT

(2013) Nils Leidel et al.   DALTON TRANSACTIONS

A Silicon-Heteroaromatic System as Photosensitizer for Light-Driven Hydrogen Production by Hydrogenase Mimics

(2013) Roman Goy et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Excited State Properties of Diiron Dithiolate Hydrides: Implications in the Unsensitized Photocatalysis of H2 Evolution

(2013) Luca Bertini et al.   INORGANIC CHEMISTRY

Bisanthracene Bis(dicarboxylic imide)s as Potential Photosensitizers in Photodynamic Therapy: A Theoretical Investigation

(2013) Marta E. Alberto et al.   Journal of Chemical Information and Modeling

Time-Resolved Infrared Studies of a Trimethylphosphine Model Derivative of [FeFe]-Hydrogenase

(2013) Melissa Johnson et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: insights from theory

(2013) Marta E. Alberto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Photocatalytic hydrogen production from a simple water-soluble [FeFe]-hydrogenase model system

(2012) Wei-Ning Cao et al.   CHEMICAL COMMUNICATIONS

Electron transfer and hydrogen generation from a molecular dyad: platinum(ii) alkynyl complex anchored to [FeFe] hydrogenase subsite mimic

(2012) Wen-Guang Wang et al.   DALTON TRANSACTIONS

Solution-phase photochemistry of a [FeFe]hydrogenase model compound: Evidence of photoinduced isomerisation

(2012) Rafal Kania et al.   JOURNAL OF CHEMICAL PHYSICS

Potential Energy Mapping of the Excited-States of (η6-Arene)Cr(CO)3 Complexes: the Evolution Toward CO-Loss or Haptotropic Shift Processes

(2012) Conor Long   JOURNAL OF PHYSICAL CHEMISTRY A

Time-Resolved Vibrational Spectroscopy of [FeFe]-Hydrogenase Model Compounds

(2012) Jamie L. Bingaman et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Unsensitized Photochemical Hydrogen Production Catalyzed by Diiron Hydrides

(2012) Wenguang Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Artificial Photosynthetic Systems Based on [FeFe]-Hydrogenase Mimics: the Road to High Efficiency for Light-Driven Hydrogen Evolution

(2012) Feng Wang et al.   ACS Catalysis

A triad [FeFe] hydrogenase system for light-driven hydrogen evolution

(2011) Hong-Yan Wang et al.   CHEMICAL COMMUNICATIONS

Density Functional Calculations on Protonation of the [FeFe]-Hydrogenase Model Complex Fe2(μ-pdt)(CO)4(PMe3)2 and Subsequent Isomerization Pathways

(2011) Caiping Liu et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Flash and Continuous Photolysis Kinetic Studies of the Iron–Iron Hydrogenase Model (μ-pdt)[Fe(CO)3]2in Different Solvents

(2011) Jon Marhenke et al.   INORGANIC CHEMISTRY

On the Photochemistry of the Low-Lying Excited State of Fe2(CO)6S2. A DFT and QTAIM Investigation

(2011) Luca Bertini et al.   ORGANOMETALLICS

Mechanistic aspects of the protonation of [FeFe]-hydrogenase subsite analogues

(2010) Aušra Jablonskytė et al.   DALTON TRANSACTIONS

Determination of the Photolysis Products of [FeFe]Hydrogenase Enzyme Model Systems using Ultrafast Multidimensional Infrared Spectroscopy

(2010) Andrew I. Stewart et al.   INORGANIC CHEMISTRY

Femtosecond to Microsecond Photochemistry of a [FeFe]hydrogenase Enzyme Model Compound

(2010) Spyridon Kaziannis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

High-Turnover Photochemical Hydrogen Production Catalyzed by a Model Complex of the [FeFe]-Hydrogenase Active Site

(2009) Daniel Streich et al.   CHEMISTRY-A EUROPEAN JOURNAL

Introducing a dark reaction to photochemistry: photocatalytic hydrogen from [FeFe] hydrogenase active site model complexes

(2009) Reiner Lomoth et al.   DALTON TRANSACTIONS

Homogeneous photocatalytic production of hydrogen from water by a bioinspired [Fe2S2] catalyst with high turnover numbers

(2009) Pan Zhang et al.   DALTON TRANSACTIONS

Review of electrochemical studies of complexes containing the Fe2S2 core characteristic of [FeFe]-hydrogenases including catalysis by these complexes of the reduction of acids to form dihydrogen

(2009) Greg A.N. Felton et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

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 Site

(2009) Luca Bertini et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Visible Light-Driven Electron Transfer and Hydrogen Generation Catalyzed by Bioinspired [2Fe2S] Complexes

(2008) Yong Na et al.   INORGANIC CHEMISTRY

Multiple-Timescale Photoreactivity of a Model Compound Related to the Active Site of [FeFe]-Hydrogenase

(2008) Anna R. Ridley et al.   INORGANIC CHEMISTRY

Photochemical studies of iron-only hydrogenase model compounds

(2008) Jessie Brown-McDonald et al.   INORGANICA CHIMICA ACTA