Anisotropy of the water–carbon interaction: molecular simulations of water in low-diameter carbon nanotubes

Hydrogen confined in single-wall carbon nanotubes: Anisotropy effects on ro-vibrational quantum levels

(2012) J. Suarez et al.   JOURNAL OF CHEMICAL PHYSICS

Lennard-Jones parameters for small diameter carbon nanotubes and water for molecular mechanics simulations from van der Waals density functional calculations

(2012) M. Kaukonen et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Toward an Equation of State for Water inside Carbon Nanotubes

(2012) M. Sadeghi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Confinement Effects on Water Clusters Inside Carbon Nanotubes

(2012) J. Hernández-Rojas et al.   Journal of Physical Chemistry C

Liquid Water: From Symmetry Distortions to Diffusive Motion

(2011) Noam Agmon   ACCOUNTS OF CHEMICAL RESEARCH

Confined water inside single-walled carbon nanotubes: Global phase diagram and effect of finite length

(2011) Haruka Kyakuno et al.   JOURNAL OF CHEMICAL PHYSICS

Water Transport through Nanotubes with Varying Interaction Strength between Tube Wall and Water

(2011) Matthew Melillo et al.   Journal of Physical Chemistry Letters

Theory and simulations of water flow through carbon nanotubes: prospects and pitfalls

(2011) Douwe Jan Bonthuis et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Measurement of the Rate of Water Translocation through Carbon Nanotubes

(2011) Xingcai Qin et al.   NANO LETTERS

On the physisorption of water on graphene: a CCSD(T) study

(2011) Elena Voloshina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Communication: On the locality of Hydrogen bond networks at hydrophobic interfaces

(2010) Bradley P. Lambeth et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Origin of Fast Water Transport in Carbon Nanotube Membranes: Superlubricity versus Curvature Dependent Friction

(2010) Kerstin Falk et al.   NANO LETTERS

Benchmark calculations of water–acene interaction energies: Extrapolation to the water–graphene limit and assessment of dispersion–corrected DFT methods

(2010) Glen R. Jenness 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

Study of the interaction between water and hydrogen sulfide with polycyclic aromatic hydrocarbons

(2009) Enrique M. Cabaleiro-Lago et al.   JOURNAL OF CHEMICAL PHYSICS

DF-DFT-SAPT Investigation of the Interaction of a Water Molecule to Coronene and Dodecabenzocoronene: Implications for the Water−Graphite Interaction

(2009) Glen R. Jenness et al.   Journal of Physical Chemistry C

First-Principles Study of Water Chains Encapsulated in Single-Walled Carbon Nanotube

(2009) Lu Wang et al.   Journal of Physical Chemistry C

Structure and Stability of the Water−Graphite Complexes

(2009) Miroslav Rubeš et al.   Journal of Physical Chemistry C

Water Flow in Carbon Nanotubes: Transition to Subcontinuum Transport

(2009) John A. Thomas et al.   PHYSICAL REVIEW LETTERS

Molecular Simulation of Water in Carbon Nanotubes

(2008) Alessio Alexiadis et al.   CHEMICAL REVIEWS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Why Are Carbon Nanotubes Fast Transporters of Water?

(2008) Sony Joseph et al.   NANO LETTERS

Macroscopically ordered water in nanopores

(2008) J. Kofinger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA