trans effect and trans influence: importance of metal mediated ligand–ligand repulsion

On the origin of the steric effect

(2012) Balazs Pinter et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Applications of the ETS-NOCV method in descriptions of chemical reactions

(2011) Mariusz Paweł Mitoraj et al.   JOURNAL OF MOLECULAR MODELING

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Comment on “The Interplay between Steric and Electronic Effects in SN2 Reactions”

(2010) Willem-Jan van Zeist et al.   CHEMISTRY-A EUROPEAN JOURNAL

Rate-Determining Factors in Nucleophilic Aromatic Substitution Reactions

(2010) Israel Fernández et al.   JOURNAL OF ORGANIC CHEMISTRY

Bond dissociation energies of ligands in square planar Pd(II) and Pt(II) complexes: An assessment using trans influence

(2010) P.K. Sajith et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

The activation strain model of chemical reactivity

(2010) Willem-Jan van Zeist et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Hydrolysis of cisplatin—a first-principles metadynamics study

(2010) Justin Kai-Chi Lau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The Interplay between Steric and Electronic Effects in SN2 Reactions

(2009) Israel Fernández et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf–Pt

(2009) Detlev Figgen et al.   JOURNAL OF CHEMICAL PHYSICS

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

Probing the Influence of Trans and Leaving Ligands on the Ability of Square-Planar Platinum(II) Complexes to Activate Methane. A Theoretical Study

(2009) Hongjuan Zhu et al.   ORGANOMETALLICS

Density Functional Studies on Palladium-Catalyzed Suzuki–Miyaura Cross-Coupling Reactions Assisted by N- or P-Chelating Ligands

(2008) Yi-Luen Huang et al.   CHEMISTRY-A EUROPEAN JOURNAL

On the origin of the trans-influence in square planar d8-complexes: A theoretical study

(2008) Mariusz P. Mitoraj et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The trans effect in square-planar platinum(II) complexes-A density functional study

(2008) Zdenek Chval et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Influence of Cis and Trans Ligands in Platinum(II) Complexes on the Ability of the Platinum Center to Activate C−H Bonds. A Density Functional Theory Study

(2008) Hongjuan Zhu et al.   ORGANOMETALLICS

Hypervalent Silicon versus Carbon: Ball-in-a-Box Model

(2007) Simon C. A. H. Pierrefixe et al.   CHEMISTRY-A EUROPEAN JOURNAL