Theoretical study of the interaction between molecular oxygen and tetraaza macrocyclic manganese complexes

Spin State Energetics and Oxyl Character of Mn-Oxo Porphyrins by Multiconfigurational ab Initio Calculations: Implications on Reactivity

(2016) Sergio Augusto Venturinelli Jannuzzi et al.   INORGANIC CHEMISTRY

Role of the Imide Axial Ligand in the Spin and Oxidation State of Manganese Corrole and Corrolazine Complexes

(2016) Gerard Alcover-Fortuny et al.   INORGANIC CHEMISTRY

Electronic effects of the substituent on the dioxygen-activating abilities of substituted iron tetraphenylporphyrins: a theoretical study

(2015) Haiyan Fu et al.   JOURNAL OF MOLECULAR MODELING

Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

(2015) Natanael de Sousa Sousa et al.   Computational and Theoretical Chemistry

Homolytic Cleavage of Molecular Oxygen by Manganese Porphyrins Supported on Ag(111)

(2014) Barry E. Murphy et al.   ACS Nano

Dramatic Influence of an Anionic Donor on the Oxygen-Atom Transfer Reactivity of a MnV-Oxo Complex

(2014) Heather M. Neu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Towards a unified way of comparing the electrocatalytic activity MN4 macrocyclic metal catalysts for O2 reduction on the basis of the reversible potential of the reaction

(2014) José H. Zagal et al.   ELECTROCHEMISTRY COMMUNICATIONS

The use of copper and cobalt phthalocyanines as electrocatalysts for the oxygen reduction reaction in acid medium

(2014) Rafael M. Reis et al.   ELECTROCHIMICA ACTA

Functional links between Pt single crystal morphology and nanoparticles with different size and shape: the oxygen reduction reaction case

(2014) Dongguo Li et al.   Energy & Environmental Science

DFT study of the oxygen reduction reaction on iron, cobalt and manganese macrocycle active sites

(2014) I.S. Flyagina et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Effect of transition metal (M: Fe, Co or Mn) for the oxygen reduction reaction with non-precious metal catalysts in acid medium

(2014) C. Domínguez et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Elucidating the 3d Electronic Configuration in Manganese Phthalocyanine

(2014) Iulia Emilia Brumboiu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Cobalt-porphyrin noncovalently functionalized graphene as nonprecious-metal electrocatalyst for oxygen reduction reaction in an alkaline medium

(2014) Liqing Jiang et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Oxygen-Atom Transfer Reactivity of Axially Ligated Mn(V)–Oxo Complexes: Evidence for Enhanced Electrophilic and Nucleophilic Pathways

(2014) Heather M. Neu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrocatalytic activity of metalloporphyrins grown in situ on graphene sheets toward oxygen reduction reaction in an alkaline medium

(2014) Liqing Jiang et al.   RSC Advances

Nitrogen-doped graphene-supported Co/CoNx nanohybrid as a highly efficient electrocatalyst for oxygen reduction reaction in an alkaline medium

(2014) Yi-shu Wang et al.   RSC Advances

Systematic Selection of Metalloporphyrin-Based Catalysts for Oxygen Reduction by Modulation of the Donor-Acceptor Intermolecular Hardness

(2013) Justus Masa et al.   CHEMISTRY-A EUROPEAN JOURNAL

A Self-Assembly Route to an Iron Phthalocyanine/Reduced Graphene Oxide Hybrid Electrocatalyst Affording an Ultrafast Oxygen Reduction Reaction

(2013) Takaaki Taniguchi et al.   PARTICLE & PARTICLE SYSTEMS CHARACTERIZATION

Oxygen reduction reaction using N4-metallomacrocyclic catalysts: fundamentals on rational catalyst design

(2012) Justus Masa et al.   JOURNAL OF PORPHYRINS AND PHTHALOCYANINES

Manganese substituted Compound I of cytochrome P450 biomimetics: A comparative reactivity study of MnV-oxo versus MnIV-oxo species

(2011) Reza Latifi et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Catalytic activity of cobalt and iron phthalocyanines or porphyrins supported on different carbon nanotubes towards oxygen reduction reaction

(2011) Adina Morozan et al.   CARBON

Toward understanding macrocycle specificity of iron on the dioxygen-binding ability: a theoretical study

(2011) Yong Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic activity toward oxygen reduction of transition metal porphyrins covalently linked to single-walled carbon nanotubes: A density functional study

(2011) Walter Orellana   PHYSICAL REVIEW B

Unprecedented Rate Enhancements of Hydrogen-Atom Transfer to a Manganese(V)-Oxo Corrolazine Complex

(2010) Katharine A. Prokop et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metallophthalocyanine-based molecular materials as catalysts for electrochemical reactions

(2010) José H. Zagal et al.   COORDINATION CHEMISTRY REVIEWS

Metal-Air Batteries with High Energy Density: Li-Air versus Zn-Air

(2010) Jang-Soo Lee et al.   Advanced Energy Materials

Revised Basis Sets for the LANL Effective Core Potentials

(2008) Lindsay E. Roy et al.   Journal of Chemical Theory and Computation

Theoretical study of first-row transition metal porphyrins and their carbonyl complexes

(2008) O. P. Charkin et al.   RUSSIAN JOURNAL OF INORGANIC CHEMISTRY