The water-benzene interaction: Insight from electronic structure theories

Quantum Monte Carlo study of the cooperative binding of NO2 to fragment models of carbon nanotubes

(2008) John W. Lawson et al.   CHEMICAL PHYSICS LETTERS

On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions

(2008) Biswajit Santra et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular hydrogen adsorbed on benzene: Insights from a quantum Monte Carlo study

(2008) Todd D. Beaudet et al.   JOURNAL OF CHEMICAL PHYSICS

Fixed-node diffusion Monte Carlo study of the structures of m-benzyne

(2008) W. A. Al-Saidi et al.   JOURNAL OF CHEMICAL PHYSICS

Toward the Exact Solution of the Electronic Schrödinger Equation for Noncovalent Molecular Interactions:  Worldwide Distributed Quantum Monte Carlo Calculations†

(2008) Martin Korth et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A Density Functional Theory Study of the Benzene−Water Complex

(2008) Shen Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Van der Waals Interactions in DFT Made Easy by Wannier Functions

(2008) Pier Luigi Silvestrelli   PHYSICAL REVIEW LETTERS

Complete basis set limit ofAb initio binding energies and geometrical parameters for various typical types of complexes

(2007) Seung Kyu Min et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY