Synergy between experimental and computational studies of aromatic stacking interactions

Dipole–Dipole Interaction Driven Self-Assembly of Merocyanine Dyes: From Dimers to Nanoscale Objects and Supramolecular Materials

(2016) Frank Würthner   ACCOUNTS OF CHEMICAL RESEARCH

Experimental investigation of anion–π interactions – applications and biochemical relevance

(2016) M. Giese et al.   CHEMICAL COMMUNICATIONS

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

Using dispersion-corrected density functional theory to understand supramolecular binding thermodynamics

(2015) Jens Antony et al.   CHEMICAL COMMUNICATIONS

Discotic Liquid Crystals

(2015) Tobias Wöhrle et al.   CHEMICAL REVIEWS

Anion−π Interactions with Fluoroarenes

(2015) Michael Giese et al.   CHEMICAL REVIEWS

Quantifying Solvophobic Effects in Nonpolar Cohesive Interactions

(2015) Lixu Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A review of methods for the calculation of solution free energies and the modelling of systems in solution

(2015) R. E. Skyner et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

How important are dispersion interactions to the strength of aromatic stacking interactions in solution?

(2015) Jungwun Hwang et al.   Chemical Science

The Hydrophobic Effect Revisited-Studies with Supramolecular Complexes Imply High-Energy Water as a Noncovalent Driving Force

(2014) Frank Biedermann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Partitioning Solvophobic and Dispersion Forces in Alkyl and Perfluoroalkyl Cohesion

(2014) Catherine Adam et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings

(2014) Steven E. Wheeler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum-Mechanical Evaluation of π–π versus Substituent−π Interactions in π Stacking: Direct Evidence for the Wheeler–Houk Picture

(2014) Robert M. Parrish et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions

(2014) Sanyo Mathew et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Additivity of Substituent Effects in Aromatic Stacking Interactions

(2014) Jungwun Hwang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dispersion-Driven Conformational Isomerism in σ-Bonded Dimers of Larger Acenes

(2013) Stephan Ehrlich et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines

(2013) Ping Li et al.   JOURNAL OF ORGANIC CHEMISTRY

Electrostatic Modulation of Aromatic Rings via Explicit Solvation of Substituents

(2013) Kamila B. Muchowska et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Role of Arene–Arene Interactions in the Folding of ortho-Phenylenes

(2013) Sanyo M. Mathew et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2013) Lixu Yang et al.   Nature Chemistry

A solution to dispersion interactions

(2013) Ken D. Shimizu   Nature Chemistry

The role of solvent cohesion in nonpolar solvation

(2013) Sijbren Otto   Chemical Science

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

Dispersion-Corrected Density Functional Theory for Aromatic Interactions in Complex Systems

(2012) Stephan Ehrlich et al.   ACCOUNTS OF CHEMICAL RESEARCH

Energy Component Analysis of π Interactions

(2012) C. David Sherrill   ACCOUNTS OF CHEMICAL RESEARCH

Cation−π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science

(2012) A. Subha Mahadevi et al.   CHEMICAL REVIEWS

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

(2012) Stefan Grimme   CHEMISTRY-A EUROPEAN JOURNAL

Controlling the local arrangements of π-stacked polycyclic aromatic hydrocarbons through substituent effects

(2012) Steven E. Wheeler   CRYSTENGCOMM

Rethinking the term “pi-stacking”

(2012) Chelsea R. Martinez et al.   Chemical Science

Putting Anion-π Interactions Into Perspective

(2011) Antonio Frontera et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures

(2011) Laura M. Salonen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Substituent Effects on Non-Covalent Interactions with Aromatic Rings: Insights from Computational Chemistry

(2011) Rajesh K. Raju et al.   CHEMPHYSCHEM

Local Nature of Substituent Effects in Stacking Interactions

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

The CH/π hydrogen bond in chemistry. Conformation, supramolecules, optical resolution and interactions involving carbohydrates

(2011) Motohiro Nishio   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Relevance of Weak Hydrogen Bonds in the Conformation of Organic Compounds and Bioconjugates: Evidence from Recent Experimental Data and High-Levelab InitioMO Calculations

(2010) Osamu Takahashi et al.   CHEMICAL REVIEWS

Molecular balances for quantifying non-covalent interactions

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

Molecular clips and tweezers hosting neutral guests

(2010) Marie Hardouin–Lerouge et al.   CHEMICAL SOCIETY REVIEWS

A Medicinal Chemist’s Guide to Molecular Interactions

(2010) Caterina Bissantz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Continuum Solvation Models: What Else Can We Learn from Them?

(2010) Benedetta Mennucci   Journal of Physical Chemistry Letters

Binding Mechanisms in Supramolecular Complexes

(2009) Hans-Jörg Schneider   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Engineering discrete stacks of aromatic molecules

(2009) Jeremy K. Klosterman et al.   CHEMICAL SOCIETY REVIEWS

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

Substituent Effects in Sandwich Configurations of Multiply Substituted Benzene Dimers Are Not Solely Governed By Electrostatic Control

(2009) Ashley L. Ringer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Do Special Noncovalent π–π Stacking Interactions Really Exist?

(2008) Stefan Grimme   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Self-assembled π-stacks of functional dyes in solution: structural and thermodynamic features

(2008) Zhijian Chen et al.   CHEMICAL SOCIETY REVIEWS

Implementation and Performance of DFT-D with Respect to Basis Set and Functional for Study of Dispersion Interactions in Nanoscale Aromatic Hydrocarbons

(2008) Roberto Peverati et al.   Journal of Chemical Theory and Computation

Substituent Effects in the Benzene Dimer are Due to Direct Interactions of the Substituents with the Unsubstituted Benzene

(2008) Steven E. Wheeler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Rigid Molecular Balance for Measuring Face-to-Face Arene−Arene Interactions

(2008) William R. Carroll et al.   ORGANIC LETTERS

Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations

(2008) Franco Cozzi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS