Academic Journal
Q2Journal of Molecular Structure
About Journal of Molecular Structure
Journal of Molecular Structure is a scholarly journal published by Elsevier B.V.. SCImago 2025 places it in Q2 with an SJR of 0.648 and an H-index of 144.
Its listed coverage is 1967-2026 and its research categories include Analytical Chemistry (Q2); Inorganic Chemistry (Q2); Organic Chemistry (Q2); Spectroscopy (Q2). The 2025 dataset reports 3791 documents and 36559 citations across the latest three-year reporting window.
Journal Metrics
Metrics can change by reporting year. Verify time-sensitive values with the publisher or indexing service.
Aims & Scope
The journal publishes research related to Metal complexes synthesis and properties, Synthesis and biological activity, Crystallography and molecular interactions, Nonlinear Optical Materials Research, Advanced Chemical Physics Studies, Molecular Spectroscopy and Structure.
Recent Research Articles
Latest publications matched automatically by ISSN.
Synthesis, spectral characterization, crystal structure and DFT studies of benzodioxole–anisole based chalcone derivatives as sunscreen agents
Sam Isaac Stephen, Karthikeyan Jayabalan, Agassi Thomas, Amrita Pal et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147127Structural interconversion of tin hybrids: solvent-driven fluorescence modulation for logic gate and anticounterfeiting applications
Deblina Das, Seoyoung Kwak, Sourav Mal, Tarak Nath Mandal et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147328Nano route, DFT, MEP, and SAR of pyran-functionalized pyrimidinone hybrids as potent larvicides against Culex pipiens; biochemical and antioxidant assessments
Basant Farag, Mohamed Abdel-Haleem, Sampath Chinnam, Ismail A. Elhaty et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147405Structural changes of 1,2-dicyanobenzene upon electronic excitation to the lowest excited singlet state from a Franck-Condon analysis
Jascha Martini, Shirin Faraji, Michael Schmitt
2027-01 · DOI: 10.1016/j.molstruc.2026.147381Synthesis, In Vitro thymidine phosphorylase inhibitory activity, cytotoxicity and computational studies of Bis-ester derivatives bearing pyridine-2,6-dicarboxylic acid
Tanzeela Ahmad Shah, Zainab, Muhammad Ayaz, Aftab Alam et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147388Design and synthesis of chirality-induced 1D antimony halide chains for flexible wearable applications
Cheng-Fang Zhang, Wen-He Zhong, Run-Tian Zhu, Sai Zhang et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147498Novel 4-phenoxyquinolines containing 2-oxo-1,2-dihydropyridine-3-carboxamide and 6-oxo-1,6-dihydropyridine-3-carboxamide moieties: design, synthesis, and biological evaluation as potential antitumor agents
Ju Liu, Yihan Lin, Xuelian Wang, Zichen Qin et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147432Biosynthesis of Pd nanoparticles and their polymeric conjugates: Green Catalysts for CC coupling, and photocatalytic oxidation and reduction of organic pollutant
Dhwani Panchal, Nima N. Patel, Dax Patel, Rakesh Kumar Ameta et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147490A novel pentanuclear cobalt (II)-thiocyanate coordination complex: From NLO responsiveness to in vitro anticancer and anti-alzheimer potential
Jawher Makhlouf, Sibel Demir Kanmazalp, Yusuf Sert, Füreya Elif Öztürkkan et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147316Structural, electronic, and pharmacokinetic characterisation of piperazinium 2-Nitrobenzoate (P2NA): A combined experimental and DFT study
B. Sahaya Infant Lasalle, J.N. Cheerlin Mishma, Muthu Senthil Pandian, M. Senthilkumar et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147296Molecular recognition of carbaryl by β-cyclodextrin: New structural insights into host-guest complexation in aqueous solution
Guillermo E. Quintero, Costantino Zazza, Daniel Guerra, Cristian Tirapegui et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147410Synthesis and computational investigation of novel pyrazole derivative: crystal structure, intermolecular interactions, electronic properties, and biomolecular recognition
Karthik V, Neetha S, Dhananjay Dey, Anand Sekar et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147104Identification of a Carbon-Centered Radical in γ-Irradiated Pimelic Acid Single Crystal: An EPR Study
Betul Caliskan, Cansu Akbay, Ali Yaman
2027-01 · DOI: 10.1016/j.molstruc.2026.147318Synthesis, characterization and anti-microbial screening of novel ethyl 3-benzoyl-7-(3-phenyl propyl) indolizine-1-carboxylate derivatives: In silico and in vitro analysis
Talluri Gopi, Tathagata Goswami, Sandya Tambi Dorai, Raghu Ningegowda et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147014Tovorafenib Solvates: Insights into Structure, Stability, and Crystallization Behavior
Jascha Schinke, Thomas Gelbrich, Kristaps Sarsuns, Sven Nerdinger et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147335Thermal Phase Transitions and Mn²⁺ ESR Signatures in Anadara granosa Shells: Implications for Environmental Metal Exposure and Biomineral-Based Pollution Monitoring
Wichian Siriprom, Lada Mathurasa, Warucha Prajongsak, Wuttichai Phae-Ngam et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147412Anomalous selective recognition behavior of a two-dimensional copper-based coordination polymer towards tetracycline antibiotics
Shixiong Li, Yuhong Piao, Ping Shi, Weiwei Nong et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147491Theoretical calculation and multimodal analysis of structure and properties of carboxylic acid plant growth regulators
Jiaqi Wang, Le Wu, Xiangya Kong, Jing Chen et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147347Structure activity relationship studies of two regioisomeric pyrazole derivatives through X-ray crystallography, DFT, Hirshfeld surface, and molecular dynamics analyses
Kothanahally S. Sharath Kumar, Anjali Sharma, Sahana Raju, Aishwarya Bharathi HM et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.147468Discovery of protein disulfide isomerase inhibitory megastigmane sesquiterpenoids from Pieris formosa
Dongzhu Zhou, Yuanyuan Feng, Yan Wu, Yenan Sun et al.
2027-01 · DOI: 10.1016/j.molstruc.2026.146831Reviews
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September 8, 2026 at 12:00 am
September 8, 2026