国家/地区
关键词 INTERACTION ENERGY（3）
出版物 JOURNAL OF MOLECULAR MODELING（3）
出版时间 2022（2）
机构
作者

A density functional theory study of simplest nanocomposites formed by graphene oxide and polyvinyl alcohol: geometry, interaction energy and vibrational spectrum

JOURNAL OF MOLECULAR MODELING

GORB L, ILCHENKO M, LESZCZYNSKI J

Enhancement of NLO properties of supersalt (Al(BH4)(3))-doped graphene: a DFT study

JOURNAL OF MOLECULAR MODELING

HUMERA, BHATTI IA, MOHSIN M, AMJAD N, SHEHZAD RA, AYUB K, IQBAL J, TAHA TA

Aggregation behavior of partially contacted graphene sheets in six-carbon alkanes: all-atom molecular dynamics simulation

JOURNAL OF MOLECULAR MODELING

CHEN SH, LI QJ, HE D, LIU YL, WANG L, WANG MS