Curvature-dependent adsorption of water inside and outside armchair carbon nanotubes

Molecular dynamics simulations of proton-ordered water confined in low-diameter carbon nanotubes

(2015) Shujuan Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Size-Dependent Water Structures in Carbon Nanotubes

(2014) Tomonori Ohba   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Spontaneous Formation of One-Dimensional Hydrogen Gas Hydrate in Carbon Nanotubes

(2014) Wenhui Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electricity Resonance-Induced Fast Transport of Water through Nanochannels

(2014) Jianlong Kou et al.   NANO LETTERS

Ice-like Water Structure in Carbon Nanotube (8,8) Induces Cationic Hydration Enhancement

(2013) Zhongjin He et al.   Journal of Physical Chemistry C

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

(2013) Guillermo Pérez-Hernández et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Entropy of single-file water in (6,6) carbon nanotubes

(2012) Aparna Waghe 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

An efficient local coupled cluster method for accurate thermochemistry of large systems

(2011) Hans-Joachim Werner et al.   JOURNAL OF CHEMICAL PHYSICS

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

Effect of chirality and curvature of single-walled carbon nanotubes on the adsorption of uracil

(2011) M. Rajarajeswari et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

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

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

Effect of the position of constriction on water permeation across a single-walled carbon nanotube

(2011) Linsong Wu et al.   PHYSICAL REVIEW E

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

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

Ferroelectric mobile water

(2010) Yoshimichi Nakamura 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

Structure and Stability of the Water−Graphite Complexes

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

The density of water in carbon nanotubes

(2008) Alessio Alexiadis et al.   CHEMICAL ENGINEERING SCIENCE

Molecular Simulation of Water in Carbon Nanotubes

(2008) Alessio Alexiadis et al.   CHEMICAL REVIEWS

Ferroelectric Ordering in Ice Nanotubes Confined in Carbon Nanotubes

(2008) Chuanfu Luo 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