The significance of the alkene size and the nature of the metal ion in metal–alkene complexes: a theoretical study

Where to bind in buckybowls? The dilemma of a metal ion

(2012) Dolly Vijay et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Effect of Solvation on Ion Binding to Imidazole and Methylimidazole

(2011) Bhaskar Sharma et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

A study of Cu(I)-ethylene complexation for olefin-paraffin separation

(2010) Joseph Chen et al.   AICHE JOURNAL

Complexes with Sterically Bulky Allyl Ligands: Insights into Structure and Bonding

(2010) Stephen C. Chmely et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

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

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

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

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

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

A Theoretical Study on Interaction of Cyclopentadienyl Ligand with Alkali and Alkaline Earth Metals

(2010) A. Subha Mahadevi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Attractive noncovalent interactions in asymmetric catalysis: Links between enzymes and small molecule catalysts

(2010) R. R. Knowles et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The cooperativity of cation–π and π–π interactions

(2009) Dolly Vijay et al.   CHEMICAL PHYSICS LETTERS

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

A UB3LYP and UMP2 theoretical investigation on unusual cation–π interaction between the triplet state HB=BH ( $$ {}^3\Sigma_g^{-} $$ ) and H+, Li+, Na+, Be2+ or Mg2+

(2009) Wen-zheng Xu et al.   JOURNAL OF MOLECULAR MODELING

The Binding of Ag+and Au+to Ethene†

(2009) Nina J. Barnett et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Preference for Na+−π Binding over Na+−Dipole Binding in Na+−Arene Interactions

(2009) Michelle Watt et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural and Energetic Preferences of π, σ, and Bidentate Cation Binding (Li+, Na+, and Mg2+) to Aromatic Amines (Ph−(CH2)n−NH2,n= 2−5): A Theoretical Study

(2009) J. Srinivasa Rao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Explicit Solvent Effect on Cation−π Interactions: A First Principle Investigation

(2009) J. Srinivasa Rao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

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

On the Cooperativity of Cation−π and Hydrogen Bonding Interactions

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

Induction effects in metal cation–benzene complexes

(2008) Ignacio Soteras et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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