Hydration peculiarities of graphene oxides with multiple oxidation degrees

Which fullerenols are water soluble? Systematic atomistic investigation

(2017) Vitaly V. Chaban et al.   NEW JOURNAL OF CHEMISTRY

Silk Fibroin-Substrate Interactions at Heterogeneous Nanocomposite Interfaces

(2016) Anise M. Grant et al.   ADVANCED FUNCTIONAL MATERIALS

Probing the accuracy of reactive and non-reactive force fields to describe physical and chemical properties of graphene-oxide

(2016) Alexandre F. Fonseca et al.   COMPUTATIONAL MATERIALS SCIENCE

Interaction of Graphene and its Oxide with Lipid Membrane: A Molecular Dynamics Simulation Study

(2016) Junlang Chen et al.   Journal of Physical Chemistry C

Water Permeation and Ion Rejection in Layer-by-Layer Stacked Graphene Oxide Nanochannels: A Molecular Dynamics Simulation

(2016) Haiwei Dai et al.   Journal of Physical Chemistry C

Molecular Dynamics Simulations Reveal that Water Diffusion between Graphene Oxide Layers is Slow

(2016) Ram Devanathan et al.   Scientific Reports

Formation energy of graphene oxide structures: A molecular dynamics study on distortion and thermal effects

(2015) Alexandre F. Fonseca et al.   CARBON

Molecular Dynamics Study of the Aggregation Process of Graphene Oxide in Water

(2015) Huan Tang et al.   Journal of Physical Chemistry C

Effects of graphene oxide nanosheets on the ultrastructure and biophysical properties of the pulmonary surfactant film

(2015) Qinglin Hu et al.   Nanoscale

Atomistic understandings of reduced graphene oxide as an ultrathin-film nanoporous membrane for separations

(2015) Li-Chiang Lin et al.   Nature Communications

Modelling the interaction of graphene oxide using an atomistic-continuum model

(2015) Tom Dyer et al.   RSC Advances

Investigation of graphene oxide nanosheets dispersion in water based on solubility parameters: a molecular dynamics simulation study

(2015) Elaheh K. Goharshadi et al.   RSC Advances

Confinement effects of graphene oxide nanosheets on liquid–solid phase transition of water

(2015) Meymanat Zokaie et al.   RSC Advances

Mechanism of Graphene Oxide as an Enzyme Inhibitor from Molecular Dynamics Simulations

(2014) Xiaotian Sun et al.   ACS Applied Materials & Interfaces

An atomic charge model for graphene oxide for exploring its bioadhesive properties in explicit water

(2014) D. Stauffer et al.   JOURNAL OF CHEMICAL PHYSICS

Graphene Oxide Supercapacitors: A Computer Simulation Study

(2014) Andrew D. DeYoung et al.   Journal of Physical Chemistry C

Wetting of Graphene Oxide: A Molecular Dynamics Study

(2014) Ning Wei et al.   LANGMUIR

Adsorption of GA module onto graphene and graphene oxide: A molecular dynamics simulation study

(2014) Junlang Chen et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Assessing the hydration free energy of a homologous series of polyols with classical and quantum mechanical solvation models

(2014) Thaciana Malaspina et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Breakdown of fast water transport in graphene oxides

(2014) Ning Wei et al.   PHYSICAL REVIEW E

Thermal Transport in Graphene Oxide – From Ballistic Extreme to Amorphous Limit

(2014) Xin Mu et al.   Scientific Reports

Molecular dynamics simulation of mechanical performance of graphene/graphene oxide paper based polymer composites

(2013) Jianwei Zhang et al.   CARBON

Molecular Dynamics Simulations of Graphene Oxide Frameworks

(2013) Adrien Nicolaï et al.   Journal of Chemical Theory and Computation

Destructive extraction of phospholipids from Escherichia coli membranes by graphene nanosheets

(2013) Yusong Tu et al.   Nature Nanotechnology

Two Dimensional Soft Material: New Faces of Graphene Oxide

(2012) Jaemyung Kim et al.   ACCOUNTS OF CHEMICAL RESEARCH

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

In Situ Synthesis of Thermochemically Reduced Graphene Oxide Conducting Nanocomposites

(2012) Ok-Kyung Park et al.   NANO LETTERS

Tuning the Mechanical Properties of Graphene Oxide Paper and Its Associated Polymer Nanocomposites by Controlling Cooperative Intersheet Hydrogen Bonding

(2011) Owen C. Compton et al.   ACS Nano

Amorphous structural models for graphene oxides

(2011) Lizhao Liu et al.   CARBON

Understanding the pH-Dependent Behavior of Graphene Oxide Aqueous Solutions: A Comparative Experimental and Molecular Dynamics Simulation Study

(2011) Chih-Jen Shih et al.   LANGMUIR

Highly Efficient Synthesis of Graphene Nanocomposites

(2011) Haixiong Tang et al.   NANO LETTERS

Hydrogen Bond Networks in Graphene Oxide Composite Paper: Structure and Mechanical Properties

(2010) Nikhil V. Medhekar et al.   ACS Nano

Chemical Functionalization of Graphene Enabled by Phage Displayed Peptides

(2010) Yue Cui et al.   NANO LETTERS

Graphene oxide as a chemically tunable platform for optical applications

(2010) Kian Ping Loh et al.   Nature Chemistry

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

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

Synthesis of Water Soluble Graphene

(2008) Yongchao Si et al.   NANO LETTERS