国家/地区 India（3）
关键词 DFT（4）
出版物 JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS（4）
出版时间 2022（2）
机构 FATIMA MATA .（2）
作者 MARY YS（4）

Understanding reactivity of a triazole derivative and its interaction with graphene and doped/undoped-coronene-a DFT study

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

MARY YS, MARY YS, ARMAKOVIC S, ARMAKOVIC SJ, NARAYANA B

Structural study of letrozole and metronidazole and formation of self-assembly with graphene and fullerene with the enhancement of physical, chemical and biological activities

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

ALMUQRIN AH, ALOTAIBI JS, MARY YS, MARY YS, THOMAS R

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