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Journal of Molecular Structure cover

Journal of Molecular Structure

IF4.7
Papers35844
Citations77060
Journal Papers 35844
Publication Date
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Substituent-Regulated Chiroptical and Multicolor Luminescent Properties of Histidine-Functionalized Benzothiadiazole Supramolecular Assemblies
deleteJournal of Molecular Structure
IF4.7
delete2026-10-27
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PREAI
deleteYuxin Ren; Xin Chen; Aijia Hu; Jingyuan Jia; Cai-Cai Zhang; Dong Yang; Lukang Ji
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Turn-on fluorescent biosensing of dsDNA enabled by chitosan-functionalized Y3+/Eu3+ co–doped strontium titanate nanophosphor
deleteJournal of Molecular Structure
IF4.7
delete2026-10-26
delete0
PREAI
deleteSatyam Upadhyay; Anushka Yadav; Monika Srivastava; Amit Srivastava; Arpita Dwivedi; Akhtar Ali; Rameshwar Nath Chaurasia; S.K. Srivastava
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A chalcone silatrane conjugate as a highly selective chemosensor for Zirconium(IV): spectroscopic investigation, DFT studies, and wheat flour analysis
deleteJournal of Molecular Structure
IF4.7
delete2026-10-26
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PREAI
deleteGurjaspreet Singh; null Anshu; K. N Singh; Manickam Selvaraj
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Hydroxyphenyl Schiff base derivatives as bovine milk lactoperoxidase inhibitors: enzyme inhibition, computational analysis and complementary biological evaluation
deleteJournal of Molecular Structure
IF4.7
delete2026-10-25
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PREAI
deleteBehiye Taşer; Fatma Sağır; Zeynep Köksal; Seda Ünlü; Fikriye Tuncel Elmalı; Pınar Güller
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A novel tetrazole-oxadiazole hybrid: Synthesis, computational insights, and biological evaluation as a potential anticancer agent
deleteJournal of Molecular Structure
IF4.7
delete2026-10-24
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deleteDmitrii V. Antonenko; Mariia A. Skryl’nikova; Olga V. Mikolaichuk; Maxim A. Gureev; Alexander S. Novikov; Marina P. Samoylovich; Eugene V. Sivtsov; Andrey V. Khramchikhin; Alexander S. Balabanov; Dar'ya V. Spiridonova; Oleg E. Molchanov; Vladimir A. Ostrovskii
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Structure and hydrogen bonding of aqueous vitamin C in a presence of a base: Xymedon ascorbate
deleteJournal of Molecular Structure
IF4.7
delete2026-10-24
delete0
PREAI
deleteSergey A. Katsyuba; Tatiana P. Gerasimova; Aliya M. Saitova; Timur I. Burganov; Alexey V. Kurenkov; Mikhail S. Shashin; Vyacheslav E. Semenov
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Bridge-modulated transient absorption and excited-state dynamics in bis-azo dyes
deleteJournal of Molecular Structure
IF4.7
delete2026-10-24
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PREAI
deleteJie Zhang; Xingzhi Wu; Caijun Xu; Yiwei Li; Xiaochen Xu; Yu Fang; Yongqiang Chen; Fei Wang; Quanying Wu; Yinglin Song
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Electrochemical biosensing of alkaline phosphatase activity and EDTA inhibition on a MWCNTs/Chitosan-modified electrode: insights from molecular docking and molecular dynamics simulations
deleteJournal of Molecular Structure
IF4.7
delete2026-10-24
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PREAI
deleteRoumaissa Mahdjoubi; Mebarka Bouziane; Ahmed Boufissiou; Wafa Zahnit; Belkhalfa Hakim
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High-contrast mechanochromic luminescence and CPL in copper(I) complexes via substituent modification and chiral ligand engineering
deleteJournal of Molecular Structure
IF4.7
delete2026-10-23
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PREAI
deleteWen Liu; Xue He; Li-Hua He; Sui-Jun Liu; He-Rui Wen; Jing-Lin Chen; Zhaoyi Wang
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M-trifluoromethylphenyl hydrazone-based turn-on fluorescent probe for Cu2+: multifunctional applications from hydrogels to bioimaging
deleteJournal of Molecular Structure
IF4.7
delete2026-10-23
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PREAI
deleteXiaoxia Cheng; Jingyi Xiong; Fengjun Yan; Yuan Ji; Bin Hu; Dan Zhou; Fang Deng
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Gd3+→Eu3+ energy transfer and suppressed concentration quenching in K3Gd1-xEuxSi2O7 (0 ≤ x ≤ 1) red phosphors for n-UV-pumped LEDs
deleteJournal of Molecular Structure
IF4.7
delete2026-10-23
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PREAI
deleteXiao Yang; Li Ren; Min Zhang; Ruirui Cui; Feng Tian; Yewei Pi; Chaoyong Deng
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Difluoroboron β-diketonate complex films: synthesis, characterization, and prospects for organic optoelectronics
deleteJournal of Molecular Structure
IF4.7
delete2026-10-23
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PREAI
deleteMaría Elena Sánchez Vergara; Emilio Iván Sandoval Plata; Ricardo Ballinas-Indili; Esteban Dalma Gutiérrez; Francisco González-Nieto; Rubén A. Toscano; Cecilio Álvarez-Toledano
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Crystal and electronic structure of a terbium(III) complex with ortho-toluic acid
deleteJournal of Molecular Structure
IF4.7
delete2026-10-22
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PREAI
deleteA.V. Shurygin; V.B. Zubchenko; S.M. Pisarev; M.A. Sebto; K.A. Pervakov; V.I. Nemtinov; Ya.G. Zernov; N.S. Ogorodnikov; V.A. Lazarenko; V.V. Korochentsev; E.K. Papynov
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Design, synthesis, and biological assessment of a novel ONO-Schiff base and its M(ONO)₂ complexes: experimental and computational insights into antimicrobial, anti-inflammatory, and anticancer activities
deleteJournal of Molecular Structure
IF4.7
delete2026-10-22
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PREAI
deleteA. AlAli; O. Abchir; S. Chtita; M.H. Semreen; M. Mousa; A.M. Al-Rawi; L. Abdallah; I. Warad
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Thermal properties, electronic structure, and temperature-dependent emissions of a two-dimensional hybrid lead bromide
deleteJournal of Molecular Structure
IF4.7
delete2026-10-22
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PREAI
deleteYong-Qiang Chen; Xiao-Min Yang; Si-Jia Lei; Guan Bai; Kai Li
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Consequences of slight steric variations to isolate cobalt(I) aminopyridinate
deleteJournal of Molecular Structure
IF4.7
delete2026-10-21
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deleteAwal Noor; Sadaf Qayyum; Sher Ali Khan; Mohd Farhan
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Heteroleptic paddle-wheel dinuclear copper(II) carboxylates: Synthesis, crystal structures, DFT, Hirshfeld surface analysis, nonlinear optical properties, and biological activities
deleteJournal of Molecular Structure
IF4.7
delete2026-10-21
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PREAI
deleteNiaz Muhammad; Viola Viola; Maciej Kubicki; Awal Noor; Muhammad Nawaz Tahir; Saba Naz; Ömer Tamer; Merve Şimşek; Davut Avcı; Yusuf Atalay
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Synthesis, characterization and photophysical interaction studies of sulfamethoxazole azo dyes: evaluation for antioxidant, anticancer, and latent fingerprint probing applications
deleteJournal of Molecular Structure
IF4.7
delete2026-10-21
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deleteK.O. Karunasagar; Yadav D. Bodke; H.M. Kumaraswamy; Y. Surendranaik; P. Meghana; Naganagouda Goudar
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Rational design of a multifunctional chromone-based hydrazone chemosensor for selective detection of Al³⁺ ions with antioxidant, antibacterial, and molecular docking studies
deleteJournal of Molecular Structure
IF4.7
delete2026-10-20
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deleteMohd Arbaz Tyagi; Nitish Kumar Singh; Jehova Jire L. Hmar; Jugal Bori
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Design, synthesis, and in vitro evaluation of vanillin-derived 1,2,3-triazole–thiazolidine-2,4‑dione hybrids
deleteJournal of Molecular Structure
IF4.7
delete2026-10-20
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PREAI
deleteDanyah Y. Alghamdi; Rasha A. Zailaee; Zahra M. Al-Amshany; Abdulaziz A. Kalantan; Ehab M.M. Ali; Abdelsattar M. Omar; Reda M. El-Shishtawy
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