Understanding the anion–π interactions with tetraoxacalix[2]arene[2]triazine

Self-Assembly and Disassembly of Vesicles as Controlled by Anion-π Interactions

(2015) Qing He et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The ONIOM Method and Its Applications

(2015) Lung Wa Chung et al.   CHEMICAL REVIEWS

Anion−π Interactions with Fluoroarenes

(2015) Michael Giese et al.   CHEMICAL REVIEWS

Photoelectron spectroscopy and theoretical studies of anion–π interactions: binding strength and anion specificity

(2015) Jian Zhang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Anion–π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution

(2014) Steven E. Wheeler et al.   CHEMICAL COMMUNICATIONS

Fractional Charge Behavior and Band Gap Predictions with the XYG3 Type of Doubly Hybrid Density Functionals

(2014) Neil Qiang Su et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings

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

Anion−π Catalysis

(2014) Yingjie Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formation of Acrylates from Ethylene and CO2 on Ni Complexes: A Mechanistic Viewpoint from a Hybrid DFT Approach

(2014) Wenping Guo et al.   ORGANOMETALLICS

The mutual interactions based on amphipathic tetraoxacalix[2]arene[2]triazine: recognition cases of anion and cation investigated by a computational study

(2014) Zhi-Feng Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Synthetic Ion Transporters that Work with Anion−π Interactions, Halogen Bonds, and Anion–Macrodipole Interactions

(2013) Andreas Vargas Jentzsch et al.   ACCOUNTS OF CHEMICAL RESEARCH

Anion−π Interactions in Supramolecular Architectures

(2013) Helen T. Chifotides et al.   ACCOUNTS OF CHEMICAL RESEARCH

Analytic derivatives for the XYG3 type of doubly hybrid density functionals: Theory, implementation, and assessment

(2013) Neil Qiang Su et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors

(2013) Li Rao et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Anion-Binding Properties of π-Electron Deficient Cavities in Bis(tetraoxacalix[2]arene[2]triazine): A Theoretical Study

(2013) Xiaoyan Zheng et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reaching a Uniform Accuracy for Complex Molecular Systems: Long-Range-Corrected XYG3 Doubly Hybrid Density Functional

(2013) Igor Ying Zhang et al.   Journal of Physical Chemistry Letters

The anion–π interaction: naissance and establishment of a peculiar supramolecular bond

(2013) Patrick Gamez   Inorganic Chemistry Frontiers

Experimental Quantification of Anion−π Interactions in Solution Using Neutral Host–Guest Model Systems

(2012) Pablo Ballester   ACCOUNTS OF CHEMICAL RESEARCH

Anion-directed assembly of a rectangular supramolecular cage in the solid state with electron-deficient phenoxylated oxacalix[2]arene[2]triazine

(2012) De-Xian Wang et al.   CHEMICAL COMMUNICATIONS

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

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

XO: An extended ONIOM method for accurate and efficient modeling of large systems

(2012) Wenping Guo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Computational Study of Anion-Modulated Cation−π Interactions

(2012) Jorge A. Carrazana-García et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Anion−π Interactions: Generality, Binding Strength, and Structure

(2012) De-Xian Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Theoretical studies of Na+ location in ZSM-5: Model selection for accurate coordination structure and energetics

(2011) Zhen-Kun Chu et al.   CATALYSIS TODAY

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Exploring the Sodium Cation Location and Aluminum Distribution in ZSM-5: A Systematic Study by the Extended ONIOM (XO) Method

(2011) Zhen-Kun Chu et al.   Journal of Physical Chemistry C

A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

(2011) I. Y. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The π-Accepting Arene HAT(CN)6 as a Halide Receptor through Charge Transfer: Multisite Anion Interactions and Self-Assembly in Solution and the Solid State

(2010) Helen T. Chifotides et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

XO: An extended ONIOM method for accurate and efficient geometry optimization of large molecules

(2010) Wenping Guo et al.   CHEMICAL PHYSICS LETTERS

Versatile Anion-π Interactions between Halides and a Conformationally Rigid Bis(tetraoxacalix[2]arene[2]triazine) Cage and Their Directing Effect on Molecular Assembly

(2010) De-Xian Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Are Anion/π Interactions Actually a Case of Simple Charge−Dipole Interactions?†

(2010) Steven E. Wheeler et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Fluoride Ion Sensing by an Anion−π Interaction

(2010) Samit Guha et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revealing Noncovalent Interactions

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

Experimental evidence for the functional relevance of anion–π interactions

(2010) Ryan E. Dawson et al.   Nature Chemistry

Binding Mechanisms in Supramolecular Complexes

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

Anion−π Interactions in Crystal Structures: Commonplace or Extraordinary?

(2009) Benjamin P. Hay et al.   CRYSTAL GROWTH & DESIGN

Energy decomposition analysis of covalent bonds and intermolecular interactions

(2009) Peifeng Su et al.   JOURNAL OF CHEMICAL PHYSICS

Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics

(2009) Y. Zhang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Cooperativity in multiple unusual weak bonds

(2009) Ibon Alkorta et al.   THEORETICAL CHEMISTRY ACCOUNTS

Quantitative Evaluation of Anion–π Interactions in Solution

(2008) Guzmán Gil-Ramírez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Halide Recognition by Tetraoxacalix[2]arene[2]triazine Receptors: Concurrent Noncovalent Halide-π and Lone-pair-π Interactions in Host-Halide-Water Ternary Complexes

(2008) De-Xian Wang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Anion–arene adducts: C–H hydrogen bonding, anion–π interaction, and carbon bonding motifs

(2008) Benjamin P. Hay et al.   CHEMICAL COMMUNICATIONS

Interplay between anion-π and hydrogen bonding interactions

(2008) Daniel Escudero et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Solution Phase Measurement of Both Weak σ and C−H···X−Hydrogen Bonding Interactions in Synthetic Anion Receptors

(2008) Orion B. Berryman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS