Noncovalent π⋅⋅⋅π interaction between graphene and aromatic molecule: Structure, energy, and nature

Differences in the Sublimation Energy of Benzene and Hexahalogenbenzenes Are Caused by Dispersion Energy

(2013) Jakub Trnka et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Fast and accurate computational modeling of adsorption on graphene: a dispersion interaction challenge

(2013) Evgeniy G. Gordeev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Interactions of polymers with reduced graphene oxide: van der Waals binding energies of benzene on graphene with defects

(2013) Mohamed Hassan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Energy Component Analysis of π Interactions

(2012) C. David Sherrill   ACCOUNTS OF CHEMICAL RESEARCH

On the interaction of polycyclic aromatic compounds with graphene

(2012) Sergey M. Kozlov et al.   CARBON

Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules

(2012) Jan Řezáč et al.   Journal of Chemical Theory and Computation

Stabilization of Graphene Sheets by a Structured Benzene/Hexafluorobenzene Mixed Solvent

(2012) Andrew J. Oyer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Benchmark Comparison of σ/σ and π/π Dispersion: the Dimers of Naphthalene and Decalin, and Coronene and Perhydrocoronene

(2012) Tomasz Janowski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantum-Mechanical Analysis of the Energetic Contributions to π Stacking in Nucleic Acids versus Rise, Twist, and Slide

(2012) Trent M. Parker et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA-intercalator interactions

(2011) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Tailoring Electronic Properties of Graphene by π–π Stacking with Aromatic Molecules

(2011) Zengxing Zhang et al.   Journal of Physical Chemistry Letters

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

Psi4: an open-source ab initio electronic structure program

(2011) Justin M. Turney et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Strong adsorption of aminotriazines on graphene

(2010) James D. Wuest et al.   CHEMICAL COMMUNICATIONS

Interactions of graphene sheets deduced from properties of polycyclic aromatic hydrocarbons

(2010) Rafał Podeszwa   JOURNAL OF CHEMICAL PHYSICS

Density fitting of intramonomer correlation effects in symmetry-adapted perturbation theory

(2010) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

Density fitting and Cholesky decomposition approximations in symmetry-adapted perturbation theory: Implementation and application to probe the nature of π-π interactions in linear acenes

(2010) Edward G. Hohenstein et al.   JOURNAL OF CHEMICAL PHYSICS

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

Adsorption of Aromatic and Anti-Aromatic Systems on Graphene through π−π Stacking

(2010) Jonas Björk et al.   Journal of Physical Chemistry Letters

Study of polycyclic aromatic hydrocarbons adsorbed on graphene using density functional theory with empirical dispersion correction

(2010) Olga V. Ershova et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

DFT/CC investigation of physical adsorption on a graphite (0001) surface

(2010) Miroslav Rubeš et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Assessment of approximate quantum chemical methods for calculating the interaction energy of nucleic acid bases with graphene and carbon nanotubes

(2009) Anitha Ramraj et al.   CHEMICAL PHYSICS LETTERS

Interaction of Substituted Aromatic Compounds with Graphene

(2008) Alain Rochefort et al.   LANGMUIR

Structures and interaction energies of stacked graphene–nucleobase complexes

(2008) Jens Antony et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Physical origins of interactions in dimers of polycyclic aromatic hydrocarbons

(2008) Rafał Podeszwa et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

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