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Structural Chemistry

IF2.2
Papers175
Citations
Journal Papers 175
Publication Date
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Electron delocalization as a design principle in functional materials: from molecular structure to macroscopic properties
deleteStructural Chemistry
IF2.2
delete2026-04-01
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deleteDutta, Debajit; Dutta, Priyanka; Chutia, Gobinda Prasad
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Nuclear quantum effects on proton sharing in the deprotonated formic acid dimer anion revealed by path-integral molecular dynamics simulations
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IF2.2
delete2026-03-01
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deleteNatsume, Masanari; Tanaka, Hikaru; Kuwahata, Kazuaki; Tachikawa, Masanori; Udagawa, Taro
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Five phases of formamide formed from 0.1 to 1.8 GPa
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteDawson, Alice; Budd, Laura E.; Allan, David R.; Ibberson, Richard M.; Marshall, William G.; Parsons, Simon
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Phthalocyanine-based single-atom catalysts as electrocatalysts for chlorine evolution reaction
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IF2.2
delete2026-03-01
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deleteFan, Jiake; Yang, Lei; Ye, Lixin; Mei, Mengyun; Zhu, Weihua
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Exploring the impact of terminal and central positions of polycyclic aromatic cores on aromaticity and NLO properties: a systematic computational analysis under various solvation methods
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteMuhammad, Shabbir; Ahmad, Adan; Alqahtany, Faleh Zafer; Bibi, Shamsa; UrRehman, Shafiq; Al-Sehemi, Abdullah G.
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Crystal structure, intermolecular interactions and DFT studies of 2-(4-nitrophenyl)-2-oxoethyl-4-nitrobenzoate
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteShanthakumar, Dileep Chikkur; Doreswamy, Sahana; Nagarajappa, Lohith Tumakuru; Nagarajaiah, Sandhya Rani; Shivakumara, Chirag; Ningaiah, Srikantamurthy; Anandalwar, Sridhar Mandayam
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Density functional theory study of M-N6 moieties in covalent organic frameworks: structures and electronic properties of TMC30H30N12 (TM = Sc-Zn, Y-Cd)
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteZhang, Ting-wei; Li, Zhi
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Experimental and theoretical studies of a sulfadiazine-ethylenediamine copper(II) complex with promising antibacterial properties
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteAthmani, Hamza; Guerraoui, Amal; Jeanneau, Erwann; Boudou, Farouk; Conradie, Marrigje Marianne; Conradie, Jeanet; Direm, Amani; Keziz, Ahcene; Djedouani, Amel; Guerraoui, Abdenour
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Chemical effects of Cu-group metals on the structural modification of fullerene: a computational study of biosensor for guanine adsorption
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteNgana, Obinna C.; Malu, Daniel G.; Hussein, Liwaa Ali; Muneam, Mustafa Kamil
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Resonance hybrid state in novel cyclopentadienyl furan-fused systems: a key determinant for nonlinear optical properties optimization
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteSun, Hejing
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Hydroxybenzene-ether complexes: interplay of intra- and intermolecular hydrogen bonds and the limitation of Badger-Bauer relationship
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteMishra, Sanskruti Ramprasad; Sutradhar, Dipankar
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Anatomy and formation of Br···O=C halogen and nonclassical hydrogen bonds and π···π stacking: insights from the conservative electronic force fields in the molecular crystal and the supermolecule of 1-(5-bromopyridin-2-yl)ethan-1-one
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteSaifina, Alina F.; Kartashov, Sergey V.; Fayzullin, Robert R.
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Fe-Ni cluster functionalized graphene as a promising adsorbent for sulfur dioxide: A DFT-D2 study
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteMonika; Jogender; Wadhwa, Heena; Kumar, Sukhvinder; Kalsi, Amanpreet Kaur; Mandeep; Kumar, Anand
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A modern Skeptical chemist: How Angelo Gavezzotti contributed to our understanding of molecular crystals
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteLo Presti, Leonardo
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Avogadro constant and molecular crystals
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deletePichierri, Fabio
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Environmental effects on formic acid isomerization and decomposition: a computational study of fullerene confinement, water catalysis, and external electric fields
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteNagpal, Vasu; Sharma, Vishal; Chakraborty, Aniruddha
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The role of π-π, C-H⋯halogen, and halogen⋯π interactions in the crystal packing of 9-aminoacridinium 3-halobenzoate salts: an experimental and theoretical investigation
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteNowak, Patryk; Sikorski, Artur; Mirocki, Artur
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Quantum chemical study of organic reaction mechanisms. xiv*1. interaction of propargyl chloride with mercaptoethanol in the system hydrazine hydrate-koh
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteChirkina, Elena A.; Grabelnykh, Valentina A.; Korchevin, Nikolay A.; Albanov, Alexandr I.; Krivdin, Leonid B.; Rozentsveig, Igor B.
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Darleane C. Hoffman centennial: A life for nuclear chemistry
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteHargittai, Magdolna
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Synthesis and structural chemistry of dibenzo[a, c]phenazine and its halogen- and nitro- substituted derivatives
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteDhasmana, Yogesh; Chopra, Deepak
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