On the Importance of Decarbonylation as a Side-Reaction in the Ruthenium-Catalysed Dehydrogenation of Alcohols: A Combined Experimental and Density Functional Study

Dehydrogenation of Alcohols by Bis(phosphinite) Benzene Based and Bis(phosphine) Ruthenocene Based Iridium Pincer Complexes

(2013) Alexey V. Polukeev et al.   ORGANOMETALLICS

New, Highly Efficient, Simple, Safe, and Scalable Synthesis of [(Ph3P)3Ru(CO)(H)2]

(2013) Hamidreza Samouei et al.   ORGANOMETALLICS

Acceptorless and Base-Free Dehydrogenation of Alcohols and Amines using Ruthenium-Hydride Complexes

(2012) Senthilkumar Muthaiah et al.   ADVANCED SYNTHESIS & CATALYSIS

Highly Efficient D2 Generation by Dehydrogenation of Formic Acid in D2O through H+/D+ Exchange on an Iridium Catalyst: Application to the Synthesis of Deuterated Compounds by Transfer Deuterogenation

(2012) Wan-Hui Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanistic Investigation of the Ruthenium-N-Heterocyclic-Carbene-Catalyzed Amidation of Amines with Alcohols

(2012) Ilya S. Makarov et al.   CHEMISTRY-A EUROPEAN JOURNAL

The accuracy of DFT-optimized geometries of functional transition metal compounds: a validation study of catalysts for olefin metathesis and other reactions in the homogeneous phase

(2012) Yury Minenkov et al.   DALTON TRANSACTIONS

Formic acid dehydrogenation catalysed by ruthenium complexes bearing the tripodal ligands triphos and NP3

(2012) Irene Mellone et al.   DALTON TRANSACTIONS

Theoretical description of dihydrogen/hydride and trihydride molybdocene complexes: An insight from static and molecular dynamics simulations

(2012) Łukasz Piękoś et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The true catalyst in hydrogen transfer reactions with alcohol donors in the presence of RuCl2(PPh3)3 is ruthenium(0) nanoparticles

(2012) Judith Toubiana et al.   Catalysis Science & Technology

Efficient Hydrogen Production from Alcohols under Mild Reaction Conditions

(2011) Martin Nielsen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Kinetic Isotope Effects in the Study of Organometallic Reaction Mechanisms

(2011) Mar Gómez-Gallego et al.   CHEMICAL REVIEWS

Simple and recyclable ionic liquid based system for the selective decomposition of formic acid to hydrogen and carbon dioxide

(2011) M. E. M. Berger et al.   GREEN CHEMISTRY

How to Conceptualize Catalytic Cycles? The Energetic Span Model

(2010) Sebastian Kozuch et al.   ACCOUNTS OF CHEMICAL RESEARCH

Applications and validations of the Minnesota density functionals

(2010) Yan Zhao et al.   CHEMICAL PHYSICS LETTERS

Next-Generation Biofuels: Survey of Emerging Technologies and Sustainability Issues

(2010) Sergey Zinoviev et al.   ChemSusChem

Investigating anharmonicity using molecular dynamics calculations: the TM hydride series (PH3)3MH4, (M = Os, Ru and Fe)

(2010) Carole A. Morrison et al.   DALTON TRANSACTIONS

Catalytic production of hydrogen from glucose and other carbohydrates under exceptionally mild reaction conditions

(2010) N. Taccardi et al.   GREEN CHEMISTRY

Hydrogen Generation from Alcohols Catalyzed by Ruthenium−Triphenylphosphine Complexes: Multiple Reaction Pathways

(2010) Nicolas Sieffert et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Continuous Hydrogen Generation from Formic Acid: Highly Active and Stable Ruthenium Catalysts

(2009) Albert Boddien et al.   ADVANCED SYNTHESIS & CATALYSIS

Hydrogen generation from formic acid and alcohols using homogeneous catalysts

(2009) Tarn C. Johnson et al.   CHEMICAL SOCIETY REVIEWS

Multiple Reaction Pathways in Rhodium-Catalyzed Hydrosilylations of Ketones

(2009) Nathanaëlle Schneider et al.   CHEMISTRY-A EUROPEAN JOURNAL

Selective Formic Acid Decomposition for High-Pressure Hydrogen Generation: A Mechanistic Study

(2009) Céline Fellay et al.   CHEMISTRY-A EUROPEAN JOURNAL

Hydrogen Generation from Formic Acid Decomposition with a Ruthenium Catalyst Promoted by Functionalized Ionic Liquids

(2009) Xueli Li et al.   ChemSusChem

Noncovalent Interactions in a Transition-Metal Triphenylphosphine Complex: a Density Functional Case Study†

(2009) Nicolas Sieffert et al.   INORGANIC CHEMISTRY

Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods

(2009) Yan Zhao et al.   Journal of Chemical Theory and Computation

Metal−Phosphine Bond Strengths of the Transition Metals: A Challenge for DFT†

(2009) Yury Minenkov et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Insights into Hydrogen Generation from Formic Acid Using Ruthenium Complexes

(2009) David J. Morris et al.   ORGANOMETALLICS

Pincer CNN Ruthenium(II) Complexes with Oxygen-Containing Ligands (O2CR, OAr, OR, OSiR3, O3SCF3): Synthesis, Structure, and Catalytic Activity in Fast Transfer Hydrogenation

(2009) Walter Baratta et al.   ORGANOMETALLICS

Factors Controlling the Selective Hydroformylation of Internal Alkenes to Linear Aldehydes. 1. The Isomerization Step

(2009) Maria Àngels Carvajal et al.   ORGANOMETALLICS

Controlled Generation of Hydrogen from Formic Acid Amine Adducts at Room Temperature and Application in H2/O2Fuel Cells

(2008) Björn Loges et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Viable Hydrogen-Storage System Based On Selective Formic Acid Decomposition with a Ruthenium Catalyst

(2008) Céline Fellay et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Biofuels: a technological perspective

(2008) Rafael Luque et al.   Energy & Environmental Science

On the Nature of the Intermediates and the Role of Chloride Ions in Pd-Catalyzed Allylic Alkylations: Added Insight from Density Functional Theory†

(2008) Peter Fristrup et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Mechanism for the Rhodium-Catalyzed Decarbonylation of Aldehydes: A Combined Experimental and Theoretical Study

(2008) Peter Fristrup et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY