Structural, energetic, spectroscopic and QTAIM analyses of cation–π interactions involving mono- and bi-cyclic ring fused benzene systems

Cation−π Interactions As Lipid-Specific Anchors for Phosphatidylinositol-Specific Phospholipase C

(2013) Cédric Grauffel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings

(2012) Steven E. Wheeler   ACCOUNTS OF CHEMICAL RESEARCH

The Cation−π Interaction

(2012) Dennis A. Dougherty   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

Computational study on C−H…π interactions of acetylene with benzene, 1,3,5-trifluorobenzene and coronene

(2012) Tandabany C. Dinadayalane et al.   JOURNAL OF MOLECULAR MODELING

A theoretical study of cation--π interactions: Li+, Na+, K+, Be2+, Mg2+ and Ca2+ complexation with mono- and bicyclic ring-fused benzene derivatives

(2012) Tandabany C. Dinadayalane et al.   THEORETICAL CHEMISTRY ACCOUNTS

Self-Assembly of Short Collagen-Related Peptides into Fibrils via Cation−π Interactions

(2011) Chia-Ching Chen et al.   BIOCHEMISTRY

Cation−π and π–π Interactions in Aqueous Solution Studied Using Polarizable Potential Models

(2011) Esam A. Orabi et al.   Journal of Chemical Theory and Computation

When Do Molecular Bowls Encapsulate Metal Cations?

(2011) Jason R. Green et al.   JOURNAL OF PHYSICAL CHEMISTRY A

DFT Study of the Interaction between Alkaline Cations and Molecular Bowls Derived from Fullerene

(2011) Jorge A. Carrazana-García et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular and Ionic Interaction with Graphene Nanoflakes: A Computational Investigation of CO2, H2O, Li, Mg, Li+, and Mg2+ Interaction with Polycyclic Aromatic Hydrocarbons

(2011) Deivasigamani Umadevi et al.   Journal of Physical Chemistry C

Cation-π and anion-π interactions

(2011) Antonio Frontera et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

A pyridinium cation–π interaction sensor for the fluorescent detection of alkyl halides

(2010) Wenbo Chen et al.   CHEMICAL COMMUNICATIONS

The role of cation–π interactions in ethylenic complexes: A theoretical NMR study

(2010) Ali Ebrahimi et al.   CHEMICAL PHYSICS LETTERS

The effect of ring annelation to benzene on cation-π interactions: DFT study

(2010) T.C. Dinadayalane et al.   JOURNAL OF MOLECULAR STRUCTURE

Stereoselective Cyclotrimerization of Enantiopure Iodonorbornenes Catalyzed by Pd Nanoclusters forC3orC3vSymmetricsyn-Tris(norborneno)benzenes

(2010) Shuhei Higashibayashi et al.   JOURNAL OF ORGANIC CHEMISTRY

Geometric Effects in Olefinic Cation−π Interactions with Alkali Metals: A Computational Study

(2010) Laura K. Engerer et al.   JOURNAL OF ORGANIC CHEMISTRY

Bond Paths Show Preferable Interactions: Ab Initio and QTAIM Studies on the X−H···π Hydrogen Bond

(2010) Sławomir J. Grabowski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Enantioselective Thiourea-Catalyzed Cationic Polycyclizations

(2010) Robert R. Knowles et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interplay between cation–π and hydrogen bonding interactions: Are non-additivity effects additive?

(2009) Carolina Estarellas et al.   CHEMICAL PHYSICS LETTERS

The cooperativity of cation–π and π–π interactions

(2009) Dolly Vijay et al.   CHEMICAL PHYSICS LETTERS

Thiacalix[4]arene–rubidiumassembly: supramolecular architecture based on alkali metal coordination and cation–π interactions

(2009) Manabu Yamada et al.   CRYSTENGCOMM

In the pursuit of small “red shift” of C–H stretching vibrational frequency of C–H⋯π interactions for benzene dimer: How to amend MP2 calculations to reproduce the experimental results

(2009) T. C. Dinadayalane et al.   JOURNAL OF CHEMICAL PHYSICS

Interaction of Benzene with Transition Metal Cations: Theoretical Study of Structures, Energies, and IR Spectra

(2009) Hai-Bo Yi et al.   Journal of Chemical Theory and Computation

An Analysis of Substituent Effects in Ethane Derivatives: The Quantum Theory of Atoms in Molecules Approach

(2009) Slawomir J. Grabowski et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Bond Paths Are Not Chemical Bonds

(2009) Richard F. W. Bader   JOURNAL OF PHYSICAL CHEMISTRY A

Substituent Effects in Cation/π Interactions and Electrostatic Potentials above the Centers of Substituted Benzenes Are Due Primarily to Through-Space Effects of the Substituents

(2009) Steven E. Wheeler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Geometries and stabilities of various configurations of benzene dimer: details of novel V-shaped structure revealed

(2009) T. C. Dinadayalane et al.   STRUCTURAL CHEMISTRY

Interplay between cation-π and hydrogen bonding interactions

(2008) Daniel Escudero et al.   CHEMICAL PHYSICS LETTERS

Physical Organic Chemistry on the Brain

(2008) Dennis A. Dougherty   JOURNAL OF ORGANIC CHEMISTRY

Structures and Energetics of the Cation−π Interactions of Li+, Na+, and K+with Cup-Shaped Molecules: Effect of Ring Addition to Benzene and Cavity Selectivity

(2008) T. C. Dinadayalane et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Cooperativity of Cation−π and Hydrogen Bonding Interactions

(2008) Dolly Vijay et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Investigation of Cation-π Interactions in Biological Systems

(2008) Ronghu Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exploring the size dependence of cyclic and acyclic π-systems on cation–π binding

(2008) Dolly Vijay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrophobic and metal coordination interacted architecture based on p-tert-butylthiacalix[4]arene–potassium complex and its vapor absorption capability

(2008) Manabu Yamada et al.   TETRAHEDRON LETTERS