Molybdenum dinitrogen complexes facially coordinated by linear tridentate PEP ligands (E = N or P): impact of the central E donor in trans-position to N2

Conversion of Dinitrogen into Acetonitrile under Ambient Conditions

(2016) Isabel Klopsch et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Diamidophosphines with six-membered chelates and their coordination chemistry with group 4 metals: development of a trimethylene-methane-tethered [PN2]-type “molecular claw”

(2016) S. Batke et al.   DALTON TRANSACTIONS

Coupling of terminal iridium nitrido complexes

(2016) Josh Abbenseth et al.   Inorganic Chemistry Frontiers

Electron Flow in Reaction Mechanisms-Revealed from First Principles

(2015) Gerald Knizia et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ammonia Synthesis by Hydrogenolysis of Titanium–Nitrogen Bonds Using Proton Coupled Electron Transfer

(2015) Iraklis Pappas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Reduction of Dinitrogen to Ammonia by Use of Molybdenum–Nitride Complexes Bearing a Tridentate Triphosphine as Catalysts

(2015) Kazuya Arashiba et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Syntheses and electronic structures of μ-nitrido bridged pyridine, diimine iridium complexes

(2014) Friedrich Angersbach-Bludau et al.   CHEMICAL COMMUNICATIONS

(Dinitrogen)molybdenum Complexes Supported by Asymmetric Silicon-Centered Tripod Ligands: Steric and Electronic Influences on the Coordination of Mono- and Diphosphine Coligands

(2014) Henning Broda et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Molybdenum Bis(Dinitrogen) Complexes Supported by NP3Ligands containing Propylene Linkages: Symmetry Breaking and Geometrical Isomerism

(2014) Ann-Christin Schnoor et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Formation of a Stannyl Amido Complex by the Reaction of a Terminal Iridium Nitrido Complex with a Stannane

(2014) Daniel Sieh et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Synthesis and Reactivity of Molybdenum-Dinitrogen Complexes Bearing PNN-Type Pincer Ligand

(2014) Kazuya Arashiba et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Catalytic Ammonia Synthesis in Homogeneous Solution-Biomimetic at Last?

(2013) Henning Broda et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molybdenum dinitrogen complexes supported by a silicon-centred tripod ligand and dppm or dmpm: tuning the activation of N2

(2013) Henning Broda et al.   DALTON TRANSACTIONS

Proton and Electron Transfer to a Polymer-Supported Nitrido Molybdenum(VI) Complex

(2013) Anica Wünsche von Leupoldt et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Bonding and Activation of N2 in Mo(0) Complexes Supported by Hybrid Tripod Ligands with Mixed Dialkylphosphine/Diarylphosphine Donor Groups: Interplay of Steric and Electronic Factors

(2013) Ludger Söncksen et al.   INORGANIC CHEMISTRY

More Can Be Better in N2 Activation

(2013) M. D. Fryzuk   SCIENCE

Molybdenum(0) dinitrogen complexes with polydentate phosphine ligands for synthetic nitrogen fixation: Geometric and electronic structure contributions to reactivity

(2012) Henning Broda et al.   COORDINATION CHEMISTRY REVIEWS

Synthesis and reactivity of molybdenum and tungsten bis(dinitrogen) complexes supported by diphosphine chelates containing pendant amines

(2012) Charles J. Weiss et al.   DALTON TRANSACTIONS

Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P–N–P Chelate Ring

(2012) Takahiko Ogawa et al.   INORGANIC CHEMISTRY

Octahedral Molybdenum(0) Monodinitrogen Complexes Facially Coordinated by the Tripodal Ligand 1,1,1-Tris(diphenylphosphanylmethyl)ethane - Influence of Diphosphane Coligands on the Activation of N2

(2011) Jan Krahmer et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

A molybdenum complex bearing PNP-type pincer ligands leads to the catalytic reduction of dinitrogen into ammonia

(2010) Kazuya Arashiba et al.   Nature Chemistry

Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange

(2008) Frank Neese et al.   CHEMICAL PHYSICS

Spectroscopic Characterization of Molybdenum Dinitrogen Complexes Containing a Combination of Di- and Triphosphine Coligands:31P NMR Analysis of Five-Spin Systems

(2008) Kristina Klatt et al.   INORGANIC CHEMISTRY

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

(2008) Dimitrios A. Pantazis et al.   Journal of Chemical Theory and Computation

Mo– and W–N2 and –CO complexes with novel mixed P/N ligands: Structural properties and implications to synthetic nitrogen fixation

(2007) Gerald C. Stephan et al.   INORGANICA CHIMICA ACTA