Correction for dispersion and Coulombic interactions in molecular clusters with density functional derived methods: Application to polycyclic aromatic hydrocarbon clusters

Modelling singly ionized coronene clusters

(2009) M. Rapacioli et al.   EUROPEAN PHYSICAL JOURNAL D

A density functional for sparse matter

(2009) D C Langreth et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

A Major Advance in Crystal Structure Prediction

(2008) Marcus A. Neumann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Implementation and validation of DFT-D for molecular vibrations and dynamics: The benzene dimer as a case study

(2008) Michele Pavone et al.   CHEMICAL PHYSICS LETTERS

An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases

(2008) Valentino R. Cooper et al.   JOURNAL OF CHEMICAL PHYSICS

A Density Functional Theory Study of the Benzene−Water Complex

(2008) Shen Li 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

Searching of potential energy curves for the benzene dimer using dispersion-corrected density functional theory

(2008) Prakash Chandra Jha et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Computational characterization and modeling of buckyball tweezers: density functional study of concave–convex π⋯π interactions

(2008) Yan Zhao 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

Self-consistent many-body perturbation theory in range-separated density-functional theory: A one-electron reduced-density-matrix-based formulation

(2008) Emmanuel Fromager et al.   PHYSICAL REVIEW A