Enantioselection mechanism in Rh-catalyzed asymmetric hydrogenation

London Dispersion in Molecular Chemistry-Reconsidering Steric Effects

(2015) J. Philipp Wagner et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Challenging the Major/Minor Concept in Rh-Catalyzed Asymmetric Hydrogenation

(2015) Ilya D. Gridnev et al.   ACS Catalysis

Steady State Kinetics of Any Catalytic Network: Graph Theory, the Energy Span Model, the Analogy between Catalysis and Electrical Circuits, and the Meaning of “Mechanism”

(2015) Sebastian Kozuch   ACS Catalysis

C–H···π Interactions and the Nature of the Donor Carbon Atom

(2014) Brijesh Kumar Mishra et al.   JOURNAL OF ORGANIC CHEMISTRY

Unravelling the Mechanism of the Asymmetric Hydrogenation of Acetophenone by [RuX2(diphosphine)(1,2-diamine)] Catalysts

(2014) Pavel A. Dub et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rhodium Asymmetric Hydrogenation Observed during its Exponential Growth Phase

(2014) John M. Brown   ORGANOMETALLICS

Energy Disposition in Reactive Intermediates

(2013) Barry K. Carpenter   CHEMICAL REVIEWS

Direct experimental and computational evidence for the dihydride pathway in TangPHOS-Rh catalysed asymmetric hydrogenation

(2013) Ilya D. Gridnev et al.   DALTON TRANSACTIONS

Understanding the Nature of the CH···HC Interactions in Alkanes

(2013) David Danovich et al.   Journal of Chemical Theory and Computation

Quantum Chemical Calculations with the Inclusion of Nonspecific and Specific Solvation: Asymmetric Transfer Hydrogenation with Bifunctional Ruthenium Catalysts

(2013) Pavel A. Dub et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of Asymmetric Hydrogenation of β-Dehydroamino Acids Catalyzed by Rhodium Complexes: Large-Scale Experimental and Computational Study

(2013) Ilya D. Gridnev et al.   ACS Catalysis

Rigid P-Chiral Phosphine Ligands with tert-Butylmethylphosphino Groups for Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Alkenes

(2011) Tsuneo Imamoto et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Experimental and theoretical determination of the accurate CH/π interaction energies in benzene–alkane clusters: correlation between interaction energy and polarizability

(2011) Asuka Fujii et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How to Conceptualize Catalytic Cycles? The Energetic Span Model

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

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

Prediction of Enantioselectivity in Rhodium Catalyzed Hydrogenations

(2009) Patrick J. Donoghue et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bifurcations on Potential Energy Surfaces of Organic Reactions

(2008) Daniel H. Ess et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Marked Deuterium Isotope Effects on the Enantioselectivity in Rhodium-Catalyzed Asymmetric Hydrogenation of Enamides

(2008) Tsuneo Imamoto et al.   Chemistry-An Asian Journal

Asymmetric Hydrogenation Catalyzed by a Rhodium Complex of (R)-(tert-Butylmethylphosphino)(di-tert-butylphosphino)methane:  Scope of Enantioselectivity and Mechanistic Study

(2008) Ilya D. Gridnev et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS