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Structural Chemistry

IF2.2
Papers183
Citations
Journal Papers 183
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Encapsulation and surface adsorption of cyclophosphamide on pristine and metal-doped BNNTs: A DFT study of structural and electronic modulation
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteWdaah, Enas Riyadh; AL-Temimei, Faeq A.; Wazzan, Nuha
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Square-octagon arsenic phosphide nanosheets as sensing element towards ethylbenzene and styrene - a first-principles study
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteJanani, N.; Chandiramouli, R.; Nagarajan, V.
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A Ni(II) sulfamerazine complex with strong telecom-band linear dichroism: Synthesis, crystal structure, Hirshfeld surfaces, NLO properties and SOS optical modeling
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteDirem, Amani; Athmani, Hamza; Valverde, Clodoaldo; Osorio, Francisco A. P.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago
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Supramolecular architecture stabilized by antiparallel C = O⋯C = O and C-H⋯π interactions in 4-nitrobenzyl 4-(p-tolyl)thiazole-2-carboxylate : a study based on crystallography and NCI-RDG analysis
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteSanthosh, Chikkappaiahnayaka; Venkatesh, Karthik; Nagarajappa, Lohith Tumakuru; Sharath, Kalleshappa; Chandra; Panchegowda, Sadashiva Maralinganadoddi; Anandalwar, Sridhar Mandayam
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Structural evaluation and antimycobacterial activity of pentacopper(II) metallamacrocyclic complexes of 5-substituted salicylhydroxamic acids
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteKatkova, Marina A.; Rumyantcev, Roman V.; Zhigulin, Grigory Yu.; Markin, Gennady V.; Fomina, Irina G.; Bekker, Olga B.; Ketkov, Sergey Yu.; Eremenko, Igor L.
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Estimation of the vaporization enthalpies of codeine (C) and morphine (M) by correlation gas chromatography using alcohols as standards. A comparison to the values of a series of opioids including C and M as evaluated by synthetic analysis and group additivity
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteChickos, James
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Structure and conformations of N-iodophenyl-substituted cyclic P2N2 ligands
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteDayanova, Irina; Litvinov, Igor; Lonnecke, Peter; Naumova, Olga; Musina, Elvira; Strelnik, Igor; Karasik, Andrey
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A novel benzoylthiourea derivative and its ternary complexes: Experimental, theoretical, antibacterial, antioxidant, and docking studies
deleteStructural Chemistry
IF2.2
delete2026-05-01
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deleteJalili Qebchaq, Tagina; Muz, Iskender; Findik, Bahar Tuba; Karipcin, Fatma
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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
deleteStructural Chemistry
IF2.2
delete2026-03-01
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deleteNatsume, Masanari; Tanaka, Hikaru; Kuwahata, Kazuaki; Tachikawa, Masanori; Udagawa, Taro
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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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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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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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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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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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