Screening substituent and backbone effects on the properties of bidentate P,P-donor ligands (LKB-PPscreen)

Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)

(2012) Jesús Jover et al.   ORGANOMETALLICS

Finding Furfural Hydrogenation Catalysts via Predictive Modelling

(2010) Zea Strassberger et al.   ADVANCED SYNTHESIS & CATALYSIS

The Measure of All Rings-N-Heterocyclic Carbenes

(2010) Thomas Dröge et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Percent buried volume for phosphine and N-heterocyclic carbene ligands: steric properties in organometallic chemistry

(2010) Hervé Clavier et al.   CHEMICAL COMMUNICATIONS

Predictive modeling in homogeneous catalysis: a tutorial

(2010) Ana G. Maldonado et al.   CHEMICAL SOCIETY REVIEWS

Rational design of diphosphorus ligands – a route to superior catalysts

(2010) Jason A. Gillespie et al.   DALTON TRANSACTIONS

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

(2010) Jesús Jover et al.   ORGANOMETALLICS

Backbone Diversity Analysis in Catalyst Design

(2009) Ana G. Maldonado et al.   ADVANCED SYNTHESIS & CATALYSIS

Bite angle effects of diphosphines in C–C and C–X bond forming cross coupling reactions

(2009) Mandy-Nicole Birkholz (née Gensow) et al.   CHEMICAL SOCIETY REVIEWS

Sterically demanding trialkylphosphines for palladium-catalyzed cross coupling reactions—alternatives to PtBu3

(2009) Christoph A. Fleckenstein et al.   CHEMICAL SOCIETY REVIEWS

A ligand knowledge base for carbenes (LKB-C): maps of ligand space

(2009) Natalie Fey et al.   DALTON TRANSACTIONS

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

Computational prediction of small-molecule catalysts

(2008) K. N. Houk et al.   NATURE

Computational Descriptors for Chelating P,P- and P,N-Donor Ligands1

(2008) Natalie Fey et al.   ORGANOMETALLICS