国家/地区 Uruguay（14）
关键词 DENSITY FUNCTIONAL CALCULATION（14）
出版物 CHEMPHYSCHEM（4） COMPUTATIONAL THEOR.（4） CHEMICAL PHYSICS LE.（2）
CHEMISTRYA EUROPEAN.（2）
出版时间 2017（4） 2013（2） 2014（2） 2016（2）
机构 UDELAR（10） DETEMA（2）
作者 DENIS PA（13） IRIBARNE F（4） SATO F（2） ULLAH S（2）

Coupled cluster investigation of the interaction of beryllium, magnesium, and calcium with pyridine: Implications for the adsorption on nitrogen-doped graphene

COMPUTATIONAL THEORETICAL CHEMISTRY

ULLAH S, DENIS PA, SATO F

Chemical Reactivity and Band-Gap Opening of Graphene Doped with Gallium, Germanium, Arsenic, and Selenium Atoms

CHEMPHYSCHEM

DENIS PA

Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene

CHEMICAL PHYSICS

DENIS PA, IRIBARNE F

Organic Chemistry of Graphene: The Diels-Alder Reaction

CHEMISTRYA EUROPEAN JOURNAL

DENIS PA

On the Addition of Aryl Radicals to Graphene: The Importance of Nonbonded Interactions

CHEMPHYSCHEM

DENIS PA

A First-Principles Study on the Interaction between Alkyl Radicals and Graphene

CHEMISTRYA EUROPEAN JOURNAL

FEDERICO P, IRIBARNE F

Is It Possible to Dope Single-Walled Carbon Nanotubes and Graphene with Sulfur?

CHEMPHYSCHEM

DENIS PA, FACCIO R, MOMBRU AW

Band gap opening in bilayer graphene by the simultaneous adsorption of electron donating and electron acceptor molecules

COMPUTATIONAL THEORETICAL CHEMISTRY

DENIS PA

On the band gaps and effective masses of mono and dual doped monolayer graphene

COMPUTATIONAL MATERIALS SCIENCE

DENIS PA, HUELMO CP, IRIBARNE F

Triple-Doped Monolayer Graphene with Boron, Nitrogen, Aluminum, Silicon, Phosphorus, and Sulfur

CHEMPHYSCHEM

ULLAH S, DENIS PA, SATO F