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Research article

First published 2014-2

Theoretical study of Schiff base compounds as antiwear lubricant additives: A quantum chemical calculation approach

Rashmi B Rastogi, Vinay Jaiswal, Jiya L Maurya

Proceedings of the Institution of Mechanical Engineers,Part J: Journal of Engineering Tribology

Open access

Review article

First published 2021-7

Computational studies of the thermodynamic properties,and global and reactivity descriptors of fluorescein dye derivatives in acetonitrile using density functional theory

Juma Mzume Juma, Said AH Vuai

Journal of Chemical Research

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Research article

First published 2020-3

Tuning the optoelectronic properties of oligothiophenes for solar cell applications by varying the number of cyano and fluoro substituents for solar cell applications: A theoretical study

Francisco C. Franco

Journal of Chemical Research

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Research article

First published 2011-3

Investigations into the Molecular-Level Adhesion Characteristics of Hydroxyapatite-Coated and Anodized Titanium Surfaces Using the Molecular Orbital Approach

K K Saju, N H Jayadas, S Vidyanand [...]

Proceedings of the Institution of Mechanical Engineers,Part H: Journal of Engineering in Medicine

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Research article

First published 2020-1

Synthesis and properties of bay unilaterally extended and mono-substituted perylene diimides

Fengxia Zhang, Xianqiang Huang, Xiaofeng Wei [...]

Journal of Chemical Research

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Research article

First published 2022-12-20

Two multifunctional benzoquinone derivatives as small molecule organic semiconductors for bulk heterojunction and perovskite solar cells

Nabeel Mohammed, Shahla Jamal Shakkor, Saifaldeen M. Abdalhadi [...]

Main Group Chemistry

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Research article

First published 2016-2

Synthesis and characterization of thermally stable polyimides with a pendent phenothiazine unit based on new diamine 10-(3,5-diaminobenzoyl)phenothiazine

Ravindra V. Ghorpade, Asmita K. Thorave, C. R. Rajan [...]

High Performance Polymers

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Research article

First published 2022-04-08

Electronic and structural features of uranium-doped graphene: DFT study

Lina Majeed Haider Al-Haideri, Necla Cakmak

Main Group Chemistry

Open access

Research article

First published 2021-5

Theoretical and experimental studies on the fluorescence properties of aluminum(III),cadmium(II),zinc(II),and copper(II) complexes of substituted 8-hydroxyquinoline

Zhang Yuanyuan, Cheng Hongrui, Sun Qingrong [...]

Journal of Chemical Research

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Research article

First published 2021-12-22

Investigating Functionalization Impacts on Structural Features of Barbituric Acid Derivatives: DFT Approach

Narjes Hajali, Afshin Taghva Manesh, Ahmad Seif

Main Group Chemistry

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