Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach

Does the Molecular Electrostatic Potential Reflect the Effects of Substituents in Aromatic Systems?

(2013) Boris Galabov et al.   CHEMISTRY-A EUROPEAN JOURNAL

Aminolysis of Phenyl N-Phenylcarbamate via an Isocyanate Intermediate: Theory and Experiment

(2013) Sonia Ilieva et al.   JOURNAL OF ORGANIC CHEMISTRY

Molecular electrostatics for probing lone pair–π interactions

(2013) Neetha Mohan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT study on the mechanism of water-assisted dihydrogen elimination in group 6 octahedral metal hydride complexes

(2012) K. S. Sandhya 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

Molecular mechanisms of cobalt-catalyzed hydrogen evolution

(2012) S. C. Marinescu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ligand-Metal Cooperation in PCP Pincer Complexes: Rational Design and Catalytic Activity in Acceptorless Dehydrogenation of Alcohols

(2011) Sanaa Musa et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Efficient Hydrogen Production from Alcohols under Mild Reaction Conditions

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

Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+Complexes as Electrocatalysts for H2Production: Substituent Variation at the Phosphorus Atom of the P2N2Ligand

(2011) Uriah J. Kilgore et al.   INORGANIC CHEMISTRY

Assessment of Stereoelectronic Effects in Grubbs First-Generation Olefin Metathesis Catalysis Using Molecular Electrostatic Potential

(2011) Jomon Mathew et al.   ORGANOMETALLICS

Water Splitting Promoted by a Ruthenium(II) PNN Complex: An Alternate Pathway through a Dihydrogen Complex for Hydrogen Production

(2011) K. S. Sandhya et al.   ORGANOMETALLICS

Efficient Dehydrogenation of Formic Acid Using an Iron Catalyst

(2011) A. Boddien et al.   SCIENCE

A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production

(2011) M. L. Helm et al.   SCIENCE

Acid-Base Interaction between Transition-Metal Hydrides: Dihydrogen Bonding and Dihydrogen Evolution

(2010) Vladislava A. Levina et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical investigation on H2 elimination reactions of germylenoid H2GeLiF with RH (R=F, OH, and NH2)

(2010) Wen-Zuo Li et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P)†

(2010) Jesús Jover et al.   ORGANOMETALLICS

Quantification of mutual trans influence of ligands in Pd(ii) complexes: a combined approach using isodesmic reactions and AIM analysis

(2009) P. K. Sajith et al.   DALTON TRANSACTIONS

The contribution of computational studies to organometallic catalysis: descriptors, mechanisms and models

(2009) Natalie Fey   DALTON TRANSACTIONS

Hydridic reactivity of W(CO)(H)(NO)(PMe3)3 – Dihydrogen bonding and H2 formation with protic donors

(2009) Nataša Avramović et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Alternating copolymerization of carbon dioxide and propylene oxide under bifunctional cobalt salen complexes: Role of Lewis base substituent covalent bonded on salen ligand

(2009) Binyuan Liu et al.   JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY

Metal−Ligand Cooperation in H2Production and H2O Decomposition on a Ru(II) PNN Complex: The Role of Ligand Dearomatization−Aromatization

(2009) Jun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Water Splitting and Oxygen−Oxygen Bond Formation by a Mononuclear Ruthenium Complex

(2009) Xinzheng Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Consecutive Thermal H2and Light-Induced O2Evolution from Water Promoted by a Metal Complex

(2009) Stephan W. Kohl et al.   SCIENCE

An electrostatic scale of substituent resonance effect

(2009) Fareed Bhasha Sayyed et al.   TETRAHEDRON LETTERS

Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus(III)-donor ligands and the metal–phosphorus bond

(2008) Natalie Fey et al.   COORDINATION CHEMISTRY REVIEWS

Aspects of dihydrogen coordination chemistry relevant to reactivity in aqueous solution

(2007) Nathaniel K. Szymczak et al.   COORDINATION CHEMISTRY REVIEWS