Mechanistic insights into regioselective polymerization of 1,3-Dienes catalyzed by a bipyridine-ligated iron complex: A DFT study

Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent

(2015) Verònica Postils et al.   INORGANIC CHEMISTRY

Bite-angle bending as a key for understanding group-10 metal reactivity of d10-[M(NHC)2] complexes with sterically modest NHC ligands

(2015) Florian Hering et al.   Chemical Science

The activation strain model and molecular orbital theory: understanding and designing chemical reactions

(2014) Israel Fernández et al.   CHEMICAL SOCIETY REVIEWS

Theoretical Mechanistic Studies on the trans-1,4-Specific Polymerization of Isoprene Catalyzed by a Cationic La–Al Binuclear Complex

(2014) Xiaohui Kang et al.   MACROMOLECULES

Iron-Catalyzed Polymerization of Isoprene and Other 1,3-Dienes

(2012) Jean Raynaud et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Computational Studies on Isospecific Polymerization of 1-Hexene Catalyzed by Cationic Rare Earth Metal Alkyl Complex Bearing a C3iPr-trisox Ligand

(2012) Xiaohui Kang et al.   MACROMOLECULES

Novel polymerization catalysts and hydride clusters from rare-earth metal dialkyls

(2010) Masayoshi Nishiura et al.   Nature Chemistry

Well-defined transition metal complexes with phosphorus and nitrogen ligands for 1,3-dienes polymerization

(2009) Giovanni Ricci et al.   COORDINATION CHEMISTRY REVIEWS

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Functional Elastomersvia Sequential Selective Diene Copolymerization/Hydrophosphorylation Catalysis

(2008) Noureddine Ajellal et al.   ADVANCED SYNTHESIS & CATALYSIS

Not Innocent: Verdict from Ab Initio Multiconfigurational Second-Order Perturbation Theory on the Electronic Structure of Chloroiron Corrole

(2008) Björn O. Roos et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Highlycis-1,4 Selective Polymerization of Dienes with Homogeneous Ziegler−Natta Catalysts Based on NCN-Pincer Rare Earth Metal Dichloride Precursors

(2008) Wei Gao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY