Interactions between the Aryldiazonium Cations and Graphene Oxide: A DFT Study

Alkyl-Modified Gold Surfaces: Characterization of the Au–C Bond

(2018) Avni Berisha et al.   LANGMUIR

Some Theoretical and Experimental Insights on the Mechanistic Routes Leading to the Spontaneous Grafting of Gold Surfaces by Diazonium Salts

(2017) Avni Berisha et al.   LANGMUIR

The COSMO and COSMO-RS solvation models

(2017) Andreas Klamt   Wiley Interdisciplinary Reviews-Computational Molecular Science

Density Functional Theory Investigation into the B and Ga Doped Clean and Water Covered γ-Alumina Surfaces

(2017) Lihong Cheng et al.   Journal of Chemistry

Hybrids from the π−π Stacking of Graphene Oxide and Aromatic Sulfonic Compounds for Improved Proton Conductivity

(2017) Yuta Shudo et al.   ChemElectroChem

Introduction: Noncovalent Interactions

(2016) Pavel Hobza et al.   CHEMICAL REVIEWS

Covalent functionalization of reduced graphene oxide with porphyrin by means of diazonium chemistry for nonlinear optical performance

(2016) Aijian Wang et al.   Scientific Reports

Covalent Modification of Graphene and Graphite Using Diazonium Chemistry: Tunable Grafting and Nanomanipulation

(2015) John Greenwood et al.   ACS Nano

Chemical Modification of Graphene Oxide through Diazonium Chemistry and Its Influence on the Structure-Property Relationships of Graphene Oxide-Iron Oxide Nanocomposites

(2015) Valentina Rebuttini et al.   CHEMISTRY-A EUROPEAN JOURNAL

Molecular adsorption at Pt(111). How accurate are DFT functionals?

(2015) Sarah Gautier et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

A DFT-D study of hydrogen adsorption on functionalized graphene

(2015) Mahamadou Seydou et al.   RSC Advances

Covalent Surface Modification of Oxide Surfaces

(2014) Sidharam P. Pujari et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Interactions between polybrominated diphenyl ethers and graphene surface: a DFT and MD investigation

(2013) Ning Ding et al.   Environmental Science-Nano

Adsorption and Dissociation of Ammonia on Graphene Oxides: A First-Principles Study

(2012) Shaobin Tang et al.   Journal of Physical Chemistry C

Adsorption of nitrogen oxides on graphene and graphene oxides: Insights from density functional calculations

(2011) Shaobin Tang et al.   JOURNAL OF CHEMICAL PHYSICS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Frequency Effects on the Surface Coverage of Nitrophenyl Films Ultrasonically Grafted onto Indium Tin Oxide

(2011) Fakhradin Mirkhalaf et al.   LANGMUIR

Functional Graphene Oxide as a Nanocarrier for Controlled Loading and Targeted Delivery of Mixed Anticancer Drugs

(2009) Liming Zhang et al.   Small