国家/地区 Uruguay（10）
关键词 DENSITY FUNCTIONAL CALCULATION（10）
出版物 CHEMPHYSCHEM（3） COMPUTATIONAL THEOR.（3） CHEMISTRYA EUROPEAN.（2）
出版时间 2013（2） 2014（2） 2016（2） 2017（2）
机构 UDELAR（10）
作者 DENIS PA（9） IRIBARNE F（3） 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

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

COMPUTATIONAL THEORETICAL CHEMISTRY

DENIS PA

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

CHEMPHYSCHEM

ULLAH S, DENIS PA, SATO F

Mono and dual doped monolayer graphene with aluminum, silicon, phosphorus and sulfur

COMPUTATIONAL THEORETICAL CHEMISTRY

DENIS PA

Dual doped monolayer and bilayer graphene: The case of 4p and 2p elements

CHEMICAL PHYSICS LETTERS

DENIS PA, IRIBARNE F