国家/地区 Spain（4）
关键词
出版物
出版时间 2018（2）
机构
作者 VEKEMAN J（4）

Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies

JOURNAL OF PHYSICAL CHEMISTRY C

VEKEMAN J, SANCHEZMARIN J, DE MERAS AS, CUESTA IG, FAGINASLAGO N

Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

VEKEMAN J, CUESTA IG, FAGINASLAGO N, WILSON J, SANCHEZMARIN J, DE MERAS AS

Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations

CHEMPHYSCHEM

WILSON J, FAGINASLAGO N, VEKEMAN J, CUESTA IG, SANCHEZMARIN J, DE MERAS AS

Development of accurate potentials for the physisorption of water on graphene

JOURNAL OF CHEMICAL PHYSICS

VEKEMAN J, CUESTA IG, FAGINASLAGO N, SANCHEZMARIN J, DE MERAS AMJS