国家/地区 India（6）
关键词 DOCKING（6）
出版物 SPECTROCHIMICA ACTA.（2）
出版时间 2020（2）
机构 FATIMA MATA .（3）
作者 MARY YS（6）

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

Comprehensive quantum mechanical studies on three bioactive anastrozole based triazole analogues and their SERS active graphene complex

JOURNAL OF MOLECULAR STRUCTURE

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS

Modeling the Conformational Preference, Spectral Analysis and Other Quantum Mechanical Studies on Three Bioactive Aminobenzoate Derivatives and Their SERS Active Graphene Complexes

POLYCYCLIC AROMATIC COMPOUNDS

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

DFT and molecular docking studies of self-assembly of sulfone analogues and graphene

JOURNAL OF MOLECULAR MODELING

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS, VAN ALSENOY C

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

DFT computational study towards investigating psychotropic drugs, promazine and trifluoperazine adsorption on graphene, fullerene and carbon cyclic ring nanoclusters

SPECTROCHIMICA ACTA PART AMOLECULAR BIOMOLECULAR SPECTROSCOPY

ALMUQRIN AH, ALOTAIBI JS, MARY YS, MARY YS