Electronic structures, bonding aspects and spectroscopic parameters of homo/hetero valent bridged dinuclear transition metal complexes

Electronic structures, bonding, and spin state energetics of biomimetic mononuclear and bridged dinuclear iron complexes: a computational examination

(2021) Monika et al.   STRUCTURAL CHEMISTRY

Electronic structures, bonding and energetics of non-heme mono and dinuclear iron-TPA complexes: a computational exploration

(2021) Oval Yadav et al.   STRUCTURAL CHEMISTRY

Elucidating the contribution of solvent on the catecholase activity in a mononuclear Cu(II) system: An experimental and theoretical approach

(2021) M. Shahid et al.   JOURNAL OF MOLECULAR STRUCTURE

A MnII MnIII -Peroxide Complex Capable of Aldehyde Deformylation

(2019) Adriana M. Magherusan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthesis, crystal structure, spectral and DFT studies of potent isatin derived metal complexes

(2018) Sajjad Hussain Sumrra et al.   JOURNAL OF MOLECULAR STRUCTURE

C–S Bond Cleavage, Redox Reactions, and Dioxygen Activation by Nonheme Dicobalt(II) Complexes

(2017) Manish Jana et al.   INORGANIC CHEMISTRY

Controlling the Reactivity of Bifunctional Ligands: Carboxylate-Bridged Nonheme Diiron(II) Complexes Bearing Free Thiol Groups

(2016) Nabhendu Pal et al.   INORGANIC CHEMISTRY

A new cobalt(II)-containing coordination polymer composed of dinuclear metal units: synthesis, crystal structure, and magnetic properties with DFT calculations

(2015) Xiangyu Liu et al.   CANADIAN JOURNAL OF CHEMISTRY

Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity

(2015) Mursaleem Ansari et al.   DALTON TRANSACTIONS

Computational Examination on the Active Site Structure of a (Peroxo)diiron(III) Intermediate in the Amine Oxygenase AurF

(2015) Prabha Jayapal et al.   INORGANIC CHEMISTRY

Synthesis, characterization, crystal structure and predicting the second-order optical nonlinearity of a new dicobalt(III) complex with Schiff base ligand

(2015) Seyed Amir Zarei et al.   JOURNAL OF MOLECULAR STRUCTURE

Theoretical and Experimental Electrostatic Potential around the m-Nitrophenol Molecule

(2015) Mokhtaria Drissi et al.   MOLECULES

ortho-Hydroxylation of aromatic acids by a non-heme FeVO species: how important is the ligand design?

(2014) Azaj Ansari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mononuclear Manganese-Peroxo and Bis(μ-oxo)dimanganese Complexes Bearing a Common N-Methylated Macrocyclic Ligand

(2013) Hyeona Kang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Synthesis, Magnetic Properties, and Phosphoesterase Activity of Dinuclear Cobalt(II) Complexes

(2013) Lena J. Daumann et al.   INORGANIC CHEMISTRY

Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates

(2013) Azaj Ansari et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Assembly of the Dimanganese-Tyrosyl Radical Cofactor of Class Ib Ribonucleotide Reductase: Enzymatic Generation of Superoxide Is Required for Tyrosine Oxidation via a Mn(III)Mn(IV) Intermediate

(2013) Joseph A. Cotruvo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural, EPR, and Mössbauer Characterization of (μ-Alkoxo)(μ-Carboxylato)Diiron(II,III) Model Complexes for the Active Sites of Mixed-Valent Diiron Enzymes

(2012) Feifei Li et al.   INORGANIC CHEMISTRY

Halide and Hydroxide Linearly Bridged Bimetallic Copper(II) Complexes: Trends in Strong Antiferromagnetic Superexchange Interactions

(2012) Daniel L. Reger et al.   INORGANIC CHEMISTRY

Electronic Structure of a Weakly Antiferromagnetically Coupled MnIIMnIIIModel Relevant to Manganese Proteins: A Combined EPR,55Mn-ENDOR, and DFT Study

(2011) Nicholas Cox et al.   INORGANIC CHEMISTRY

Evolution of strategies to prepare synthetic mimics of carboxylate-bridged diiron protein active sites

(2011) Loi H. Do et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

An Active Dimanganese(III)−Tyrosyl Radical Cofactor inEscherichia coliClass Ib Ribonucleotide Reductase

(2010) Joseph A. Cotruvo et al.   BIOCHEMISTRY

A Tyrosyl−Dimanganese Coupled Spin System is the Native Metalloradical Cofactor of the R2F Subunit of the Ribonucleotide Reductase of Corynebacterium ammoniagenes

(2010) Nicholas Cox et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural Basis for Activation of Class Ib Ribonucleotide Reductase

(2010) A. K. Boal et al.   SCIENCE

X-ray structure and spectroscopic characterization of divalent dinuclear cobalt complexes containing carboxylate- and phosphodiester- auxiliary bridges

(2009) Gnana S. Siluvai et al.   INORGANICA CHIMICA ACTA

Dicobalt II−II, II−III, and III−III Complexes as Spectroscopic Models for Dicobalt Enzyme Active Sites

(2008) Frank B. Johansson et al.   INORGANIC CHEMISTRY