Noncovalent CH–π and π–π Interactions in Phosphoramidite Palladium(II) Complexes with Strong Conformational Preference

Recent Advances in Enantioselective Pd-Catalyzed Allylic Substitution: From Design to Applications

(2021) Oscar Pàmies et al.   CHEMICAL REVIEWS

A New Ligand Design Based on London Dispersion Empowers Chiral Bismuth–Rhodium Paddlewheel Catalysts

(2021) Santanu Singha et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods

(2020) Diana Yepes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

PI by NMR: Probing CH‐π Interactions in Protein‐Ligand Complexes by NMR

(2020) Gerald Platzer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Palladium‐Catalyzed Enantioselective Heck Carbonylation with a Monodentate Phosphoramidite Ligand: Asymmetric Synthesis of (+)‐Physostigmine, (+)‐Physovenine, and (+)‐Folicanthine

(2020) Ming Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Size‐Accelerated Kinetic Resolution of Secondary Alcohols

(2020) Hendrik Zipse et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

London Dispersion Rather than Steric Hindrance Determines the Enantioselectivity of the Corey‐Bakshi‐Shibata Reduction

(2020) Christian Eschmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Exploration of Chemical Compound, Conformer, and Reaction Space with Meta-Dynamics Simulations Based on Tight-Binding Quantum Chemical Calculations

(2019) Stefan Grimme   Journal of Chemical Theory and Computation

Retooling Asymmetric Conjugate Additions for Sterically Demanding Substrates with an Iterative Data-Driven Approach

(2019) Alexandre V. Brethomé et al.   ACS Catalysis

Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions

(2019) Giovanni Bistoni   Wiley Interdisciplinary Reviews-Computational Molecular Science

Exploring London Dispersion and Solvent Interactions at Alkyl-Alkyl Interfaces Using Azobenzene Switches

(2019) Marcel A. Strauss et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Predictive and mechanistic multivariate linear regression models for reaction development

(2018) Celine B. Santiago et al.   Chemical Science

Exploiting non-covalent π interactions for catalyst design

(2017) Andrew J. Neel et al.   NATURE

Enantioselective Conjugate Addition Catalyzed by a Copper Phosphoramidite Complex: Computational and Experimental Exploration of Asymmetric Induction

(2017) Ruchuta Ardkhean et al.   ACS Catalysis

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Screening Solvent Effects in Anion Recognition

(2017) Scott L. Cockroft   Chem

Anion Binding in Solution: Beyond the Electrostatic Regime

(2017) Yun Liu et al.   Chem

Noncovalent Interactions in Organocatalysis and the Prospect of Computational Catalyst Design

(2016) Steven E. Wheeler et al.   ACCOUNTS OF CHEMICAL RESEARCH

Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework

(2016) Wolfgang B. Schneider et al.   Journal of Chemical Theory and Computation

Computational ligand design in enantio- and diastereoselective ynamide [5+2] cycloisomerization

(2016) R. N. Straker et al.   Nature Communications

Chiral Monophosphorus Ligands for Asymmetric Catalytic Reactions

(2016) Wenzhen Fu et al.   ACS Catalysis

London Dispersion in Molecular Chemistry-Reconsidering Steric Effects

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

Can Dispersion Forces Govern Aromatic Stacking in an Organic Solvent?

(2015) Lixu Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mixed-Ligand Catalysts: A Powerful Tool in Transition-Metal-Catalyzed Cross-Coupling Reactions

(2014) Yuting Fan et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Houk–List transition states for organocatalytic mechanisms revisited

(2014) Alan Armstrong et al.   Chemical Science

The Supramolecular Balance for Transition-Metal Complexes: Assessment of Noncovalent Interactions in Phosphoramidite Palladium Complexes

(2013) Evelyn Hartmann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structures and Interligand Interaction Pattern of Phosphoramidite Pd Complexes by NMR Spectroscopy: Modulations in Extended Interaction Surfaces as Stereoselection Mode of a Privileged Class of Ligands

(2013) Evelyn Hartmann et al.   CHEMISTRY-A EUROPEAN JOURNAL

Natural triple excitations in local coupled cluster calculations with pair natural orbitals

(2013) Christoph Riplinger et al.   JOURNAL OF CHEMICAL PHYSICS

How much do van der Waals dispersion forces contribute to molecular recognition in solution?

(2013) Lixu Yang et al.   Nature Chemistry

Aromatic Interactions as Control Elements in Stereoselective Organic Reactions

(2012) Elizabeth H. Krenske et al.   ACCOUNTS OF CHEMICAL RESEARCH

Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings

(2012) Steven E. Wheeler   ACCOUNTS OF CHEMICAL RESEARCH

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

(2012) Stefan Grimme   CHEMISTRY-A EUROPEAN JOURNAL

Local Nature of Substituent Effects in Stacking Interactions

(2011) Steven E. Wheeler   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

1H DOSY Spectra of Ligands for Highly Enantioselective Reactions-A Fast and Simple NMR Method to Optimize Catalytic Reaction Conditions

(2010) Katrin Schober et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Phosphoramidites: Privileged Ligands in Asymmetric Catalysis

(2010) Johannes F. Teichert et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molecular balances for quantifying non-covalent interactions

(2010) Ioulia K. Mati et al.   CHEMICAL SOCIETY REVIEWS

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY