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

Tuning the C–H···π Interaction by Different Substitutions in Benzene–Acetylene Complexes

(2012) Brijesh Kumar Mishra et al.   Journal of Chemical Theory and Computation

Interaction of Graphene and Arenes with Noble Metals

(2012) Jaroslav Granatier et al.   Journal of Physical Chemistry C

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

Halogen bonding and beyond: factors influencing the nature of CN–R and SiN–R complexes with F–Cl and Cl2

(2012) Peter Politzer et al.   THEORETICAL CHEMISTRY ACCOUNTS

Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor)

(2012) Peter Politzer et al.   Computational and Theoretical Chemistry

Physicochemical, self-assembly and field-effect transistor properties of anti- and syn- thienoacene isomers

(2011) Rongjin Li et al.   JOURNAL OF MATERIALS CHEMISTRY

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

(2011) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

Accurate Description of Argon and Water Adsorption on Surfaces of Graphene-Based Carbon Allotropes

(2011) Jiří Kysilka et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Local Nature of Substituent Effects in Stacking Interactions

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

Origin of the Surprising Enhancement of Electrostatic Energies by Electron-Donating Substituents in Substituted Sandwich Benzene Dimers

(2011) Edward G. Hohenstein et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Probing Substituent Effects in Aryl−Aryl Interactions Using Stereoselective Diels−Alder Cycloadditions

(2010) Steven E. Wheeler et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Revealing Noncovalent Interactions

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

Theoretical analysis based on X–H bonding strength and electronic properties in red- and blue-shifting hydrogen-bonded X–H⋯π complexes

(2010) Oscar Donoso-Tauda et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Remarkable diversity of carbon–carbon bonds: structures and properties of fullerenes, carbon nanotubes, and graphene

(2010) T. C. Dinadayalane et al.   STRUCTURAL CHEMISTRY

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

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

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

A Prototype for Graphene Material Simulation:  Structures and Interaction Potentials of Coronene Dimers

(2008) Yan Zhao et al.   Journal of Physical Chemistry C

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