国家/地区 India（9） Arabia（2）
关键词 DFT（12）
出版物 SPECTROCHIMICA ACTA.（3） JOURNAL OF BIOMOLEC.（2） JOURNAL OF MOLECULA.（2）
POLYCYCLIC AROMATIC.（2）
出版时间 2020（5） 2022（2） 2023（2）
机构 FATIMA MATA .（5）
作者 ALOTAIBI JS（12）

Spectral analysis and DFT investigation of some benzopyran analogues and their self-assemblies with graphene

JOURNAL OF MOLECULAR LIQUIDS

ALOTAIBI JS, MARY YS, MARY YS, KAYA S, ERKAN S

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

Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullerene

JOURNAL OF MOLECULAR MODELING

ALMUQRIN AH, ALOTAIBI JS, MARY YS, THOMAS R, KAYA S, ISIN DO

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

Detailed quantum mechanical studies on bioactive benzodiazepine derivatives and their adsorption over graphene sheets

SPECTROCHIMICA ACTA PART AMOLECULAR BIOMOLECULAR SPECTROSCOPY

ALOTAIBI JS

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

Quantum Mechanical Investigation into the Adsorption Pattern of Clomipramine and Methotrimeprazine HCl with Graphene and Fullerene

POLYCYCLIC AROMATIC COMPOUNDS

ALOTAIBI JS, MARY YS, MARY YS, ACHARJEE N

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