国家/地区 Japan（2）
关键词
出版物 JOURNAL OF PHYSICAL.（3）
出版时间 2017（4）
机构 NAGOYA UNIV（2）
作者 IRLE S（4）

Coupled Cluster and Density Functional Studies of Atomic Fluorine Chemisorption on Coronene as Model Systems for Graphene Fluorination

JOURNAL OF PHYSICAL CHEMISTRY C

HUTAMA AS, HIJIKATA Y, IRLE S

Quantum Chemical Estimation of Acetone Physisorption on Graphene Using Combined Basis Set and Size Extrapolation Schemes

JOURNAL OF PHYSICAL CHEMISTRY C

NISHIMURA Y, TSUNEDA T, SATO T, KATOUDA M, IRLE S

QM/MD Simulations on Graphene Hydrogenation/Deuteration: CXH/D Formation Mechanism and Isotope Effect

JOURNAL OF PHYSICAL CHEMISTRY C

WANG Y, QIAN HJ, WU ZJ, IRLE S

Quantum chemical molecular dynamics simulation of carbon nanotube-graphene fusion

MOLECULAR SIMULATION

QIAN HJ, ERES G, IRLE S