国家/地区 Spain（4）
关键词 MOLECULAR DYNAMIC（2）
出版物
出版时间 2018（2）
机构 UNIV PERUGIA（2）
作者 DE MERAS AS（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

Modelization of the H-2 adsorption on graphene and molecular dynamics simulation

THEORETICAL CHEMISTRY ACCOUNTS

FAGINASLAGO N, BIN YEAMIN M, SANCHEZMARIN J, CUESTA IG, ALBERTI M, DE MERAS AS