On the Mechanism of the Dehydroaromatization of Hexane to Benzene by an Iridium Pincer Catalyst

Mechanistic insights on platinum- and palladium-pincer catalyzed coupling and cyclopropanation reactions between olefins

(2012) Ramanan Rajeev et al.   DALTON TRANSACTIONS

Olefin Isomerization by Iridium Pincer Catalysts. Experimental Evidence for an η3-Allyl Pathway and an Unconventional Mechanism Predicted by DFT Calculations

(2012) Soumik Biswas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of Explicit Solvents in Palladium(II)-Catalyzed Alkoxylation of Arenes: An Interesting Paradigm for Preferred Outer-Sphere Reductive Elimination over Inner-Sphere Pathway

(2012) Megha Anand et al.   ORGANOMETALLICS

Dehydrogenation and Related Reactions Catalyzed by Iridium Pincer Complexes

(2011) Jongwook Choi et al.   CHEMICAL REVIEWS

Efficient hydrogenation of organic carbonates, carbamates and formates indicates alternative routes to methanol based on CO2 and CO

(2011) Ekambaram Balaraman et al.   Nature Chemistry

Computational Mechanistic Study on Cp*Ir Complex-Mediated Acceptorless Alcohol Dehydrogenation: Bifunctional Hydrogen Transfer vs β-H Elimination

(2011) Haixia Li et al.   ORGANOMETALLICS

Mechanistic Studies on the Reversible Hydrogenation of Carbon Dioxide Catalyzed by an Ir-PNP Complex

(2011) Ryo Tanaka et al.   ORGANOMETALLICS

How to Conceptualize Catalytic Cycles? The Energetic Span Model

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

Catalysis by Palladium Pincer Complexes

(2010) Nicklas Selander et al.   CHEMICAL REVIEWS

Ligand exchanges and selective catalytic hydrogenation in molecular single crystals

(2010) Zheng Huang et al.   NATURE

Catalytic dehydroaromatization of n-alkanes by pincer-ligated iridium complexes

(2010) Ritu Ahuja et al.   Nature Chemistry

Ruthenium Complexes with Cooperative PNP Ligands: Bifunctional Catalysts for the Dehydrogenation of Ammonia-Borane

(2009) Martina Käß et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bis(oxazolinyl)phenyl transition-metal complexes: asymmetric catalysis and some reactions of the metals

(2009) Hisao Nishiyama et al.   CHEMICAL COMMUNICATIONS

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

Revised Basis Sets for the LANL Effective Core Potentials

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