国家/地区 India（2） Korea（2）
关键词 DFT（5）
出版物 JOURNAL OF BIOMOLEC.（2）
出版时间 2022（5）
机构
作者 MARY YS（5）

Adsorption of Phenothiazine Derivatives on Graphene - DFT, Docking and MD Simulation

POLYCYCLIC AROMATIC COMPOUNDS

MARY YS, MARY YS

Adsorption properties of dacarbazine with graphene/fullerene/metal nanocages - Reactivity, spectroscopic and SERS analysis

SPECTROCHIMICA ACTA PART AMOLECULAR BIOMOLECULAR SPECTROSCOPY

ALOTAIBI JS, MARY YS, MARY YS, ULLAH Z, YADAV R, GUPTA N, CHURCHILL DG

Adsorption of Pyrimidin-2-amine (PA) on Graphene Quantum Dots (GQDs): Non-covalent Interaction Study

JOURNAL OF MOLECULAR LIQUIDS

ULLAH Z, KIM HJ, MARY YS, ZHAN X, KWON HW

Theoretical model study of adsorbed antimalarial-graphene dimers: doping effects, photophysical parameters, intermolecular interactions, edge adsorption, and SERS

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

ULLAH Z, SONAWANE PM, MARY YS, MARY YS, MANE P, CHAKRABORTY B, CHURCHILL DG

DFT computational study of trihalogenated aniline derivative's adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

ALOTAIBI JS, MARY YS, MARY YS, KAYA S, SERDAROGLU G