يعرض 1 - 20 نتائج من 104 نتيجة بحث عن '"Smirani, Wajda"', وقت الاستعلام: 1.05s تنقيح النتائج
  1. 1
    Academic Journal
    Novel complex based on [Co(SCN)4] and piperazine derivate : Synthesis, characterization, theoretical study, thermal features, optical studies and electronic investigations

    المؤلفون: Makhlouf, Jawher, Smida, Youssef Ben, Valkonen, Arto, El Bakri, Youness, Abuelizz, Hatem A., Al-Salahi, Rashad, Smirani, Wajda

    مصطلحات موضوعية: thiocyanate precursor, crystal structure determination, electrical investigation, DFT, electronic structure, optical properties, optiset ominaisuudet, kemiallinen synteesi, kiteet, koboltti, kompleksiyhdisteet

    وصف الملف: application/pdf; fulltext

    Relation: Polyhedron; 260; CONVID_220450382

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202412047631

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  2. 2
    Academic Journal
    Self-assembly, virtual screening of a new cobalt complex : Synthesis, empirical, DFT calculations, biological activity investigations and identification of inhibitory activity on the main protease of COVID-19 and SARS-CoV2 by molecular docking strategy of (C6H6NF)2[Co(SCN)2]

    المؤلفون: Makhlouf, Jawher, El Bakri, Youness, Valkonen, Arto, Saravanan, Kandasamy, Ahmad, Sajjad, Al-Salahi, Rashad, Smirani, Wajda

    مصطلحات موضوعية: thiocyanate, crystal structure, antibacterial activities, DFT calculations, molecular docking, COVID-19, SARS-CoV2, optical polarizability, bioaktiiviset yhdisteet, optiset ominaisuudet, inhibiittorit, kompleksiyhdisteet, koboltti, antimikrobiset yhdisteet, SARS-CoV-2-virus

    وصف الملف: application/pdf; fulltext

    Relation: Inorganic Chemistry Communications; 159; CONVID_194644812

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402212005

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  3. 3
    Academic Journal
    Synthesis, X-ray Crystallography, spectroscopic Analysis, DFT Calculations, Hirshfeld surface Analysis, and evaluation of Electric, Dielectric, and cytotoxic properties of a new hybrid compound (C4H12N)4(H3P2O7)2H2P2O7·2H2O

    المؤلفون: Oueslati, Yathreb, El Bakri, Youness, Valkonen, Arto, Anouar, El Hassane, Smirani, Wajda

    مصطلحات موضوعية: tiheysfunktionaaliteoria, röntgenkristallografia, fosfaatit, molekyylit, kemiallinen synteesi

    وصف الملف: application/pdf; fulltext

    Relation: Inorganic Chemistry Communications; 156; CONVID_184149363

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402282206

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  4. 4
    Academic Journal
    Self-assembly, physico-chemical characterization, biological, virtual screening, and computational approach of novel 2-amino pyridine derivatives

    المؤلفون: Makhlouf, Jawher, El Bakri, Youness, Saravanan, Kandasamy, Valkonen, Arto, Smirani, Wajda

    مصطلحات موضوعية: materials chemistry, X-ray structure determination, dielectric studies, DFT studies, IR spectroscopy, impedance spectroscopy, antioxidant activity, tiheysfunktionaaliteoria, sinkki (metallit), optiset ominaisuudet, kemiallinen synteesi, kompleksiyhdisteet, röntgenkristallografia, kiteet

    وصف الملف: application/pdf; fulltext

    Relation: Journal of Molecular Structure; 1281; CONVID_176943979

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402282200

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  5. 5
    Academic Journal
    Insight into a novel cobalt complex with promising electric energy stocker properties : A combined DFT and experimental study

    المؤلفون: Makhlouf, Jawher, Ahsin, Atazaz, El Bakri, Youness, Valkonen, Arto, Al-Salahi, Rashad, Smirani, Wajda

    مصطلحات موضوعية: cobalt (II) thiocyanate complex, dielectric properties, dielectric permittivity, Hirshfeld surface analysis, NLO properties, polarisaatio (aaltoliike), optiset ominaisuudet, koboltti, sähköiset ominaisuudet, kompleksiyhdisteet, kiteet, tiheysfunktionaaliteoria

    وصف الملف: application/pdf; fulltext

    Relation: Inorganic Chemistry Communications; 158; CONVID_189042076

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402222058

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  6. 6
    Academic Journal
    Investigation on the molecular, electronic, biological and spectroscopic properties of a novel cobalt complex : An intuition from an experimental and computational perspective

    المؤلفون: Makhlouf, Jawher, Louis, Hitler, Benjamin, Innocent, Isang, Bartholomew B., Fidelis, Chidera F., Valkonen, Arto, Smirani, Wajda

    مصطلحات موضوعية: materials chemistry, X-ray structure determination, DFT, impedance spectroscopy, antioxidant activity, molecular docking, kiteet, materiaalitutkimus, koboltti, kompleksiyhdisteet, antioksidantit, spektroskopia

    وصف الملف: application/pdf; fulltext

    Relation: Polyhedron; 235; Makhlouf, J., Louis, H., Benjamin, I., Isang, B. B., Fidelis, C. F., Valkonen, A., & Smirani, W. (2023). Investigation on the molecular, electronic, biological and spectroscopic properties of a novel cobalt complex : An intuition from an experimental and computational perspective. Polyhedron , 235 , Article 116369. https://doi.org/10.1016/j.poly.2023.116369; CONVID_177398927

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402282202

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  7. 7
    Academic Journal
    Single crystal investigations, spectral analysis, DFT studies, antioxidants, and molecular docking investigations of novel hexaisothiocyanato chromate complex

    المؤلفون: Makhlouf, Jawher, Louis, Hitler, Benjamin, Innocent, Ukwenya, Elizabeth, Valkonen, Arto, Smirani, Wajda

    مصطلحات موضوعية: transition metal, inorganic chemistry, optical properties, spectroscopy, antioxidant property, DFT, molecular docking, biological activity, optiset ominaisuudet, antioksidantit, spektroskopia, epäorgaaninen kemia, biologinen aktiivisuus

    وصف الملف: application/pdf; fulltext

    Relation: Journal of Molecular Structure; 1272; Makhlouf, J., Louis, H., Benjamin, I., Ukwenya, E., Valkonen, A., & Smirani, W. (2023). Single crystal investigations, spectral analysis, DFT studies, antioxidants, and molecular docking investigations of novel hexaisothiocyanato chromate complex. Journal of Molecular Structure , 1272 , Article 134223. https://doi.org/10.1016/j.molstruc.2022.134223; CONVID_156953341

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402282203

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  8. 8
    Academic Journal
    Comprehensive Experimental and DFT‐Based Theoretical Analysis of a Novel Cobalt(II) Complex: Structural Characterization and Optical Properties.

    المؤلفون: Ferchichi, Amal, Makhlouf, Jawher, Valkonen, Arto, Abuelizz, Hatem A., Al‐Salahi, Rashad, El Bakri, Youness, Smirani, Wajda

    المصدر: ChemistrySelect; Oct2024, Vol. 9 Issue 37, p1-13, 13p

    مصطلحات موضوعية: OPTICAL spectroscopy, DENSITY functional theory, PERMITTIVITY, OPACITY (Optics), IMPEDANCE spectroscopy


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  9. 9
    Academic Journal
    Synthesis, crystal structure, thermal analysis, spectroscopic, optical polarizability, and DFT studies, and molecular docking approaches of novel 2-methyl-benzylammonium derivatives for potential anti-inflammatory control.

    المؤلفون: Ferchichi, Amal, Makhlouf, Jawher, Chukwuemeka, Kelechi, Valkonen, Arto, Abuelizz, Hatem A., Al-Salahi, Rashad, El Bakri, Youness, Smirani, Wajda

    المصدر: New Journal of Chemistry; 9/28/2024, Vol. 48 Issue 36, p15747-15759, 13p

    مصطلحات موضوعية: ULTRAVIOLET-visible spectroscopy, MOLECULAR docking, OPTICAL spectroscopy, THERMAL analysis, ANTI-inflammatory agents


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  10. 10
    Academic Journal
    Transition metal precursor impact on thiocyanate complexes crystallization : Isomorphous cobalt and nickel properties

    المؤلفون: Makhlouf, Jawher, Valkonen, Arto, Smirani, Wajda

    مصطلحات موضوعية: thiocyanate precursor, metal complexes, isomorphous, crystal structures, physico-chemical study, electrical investigation, kiteet, kompleksiyhdisteet, sähköiset ominaisuudet, optiset ominaisuudet, koboltti, nikkeli

    وصف الملف: application/pdf; fulltext

    Relation: Polyhedron; 213; Makhlouf, J., Valkonen, A., & Smirani, W. (2022). Transition metal precursor impact on thiocyanate complexes crystallization : Isomorphous cobalt and nickel properties. Polyhedron , 213 , Article 115625. https://doi.org/10.1016/j.poly.2021.115625; CONVID_103523335

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402151892

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  11. 11
    Academic Journal
    Self-assembly of new cobalt complexes based on [Co (SCN)4], synthesis, empirical, antioxidant activity, and quantum theory investigations

    المؤلفون: Ferchichi, Amal, Makhlouf, Jawher, El Bakri, Youness, Saravanan, Kandasamy, Valkonen, Arto, Hashem, Heba E., Ahmad, Sajjad, Smirani, Wajda

    المصدر: Scientific Reports ; volume 12, issue 1 ; ISSN 2045-2322

    الاتاحة: http://dx.doi.org/10.1038/s41598-022-18471-7
    https://www.nature.com/articles/s41598-022-18471-7.pdf
    https://www.nature.com/articles/s41598-022-18471-7

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  12. 12
    Academic Journal
    Growth, single crystal investigation and physico-chemical properties of thiocyanate coordination compounds based on 1,4-dimethylpiperazine

    المؤلفون: Makhlouf, Jawher, Valkonen, Arto, Smirani, Wajda Sta

    مصطلحات موضوعية: materiaalikemia, inorganic chemistry, materials chemistry, DRX, crystal structure, heterocyclic aromatic bases, anti-oxidant behavior, aromaattiset yhdisteet, kristallisaatio, molekyylit, heterosykliset yhdisteet, antioksidantit, epäorgaaninen kemia, metallit, röntgenkristallografia, spektroskopia, emäkset, materiaalitutkimus

    وصف الملف: application/pdf; 1374-1395; fulltext

    Relation: Journal of coordination chemistry; 9-10; 75; https://dx.doi.org/10.5517/ccdc.csd.cc275tpy; CONVID_150962778

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402151887

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  13. 13
    Academic Journal
    Synthesis and characterization of a novel coordination compound based on 2, 6-dimethylpiperazine

    المؤلفون: Hannachi, Anissa, García, Carlos J Gómez, Valkonen, Arto, Smirani, Wajda

    مصطلحات موضوعية: isothiocyanate, 2,6-dimethylpiperazine, coordination, biological activity, biologinen aktiivisuus, koboltti, spektroskopia, vetysidokset, kemialliset sidokset

    وصف الملف: application/pdf; fulltext

    Relation: Journal of Molecular Structure; 1267; CONVID_148841362

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402151888

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  14. 14
    Academic Journal
    Growth, single crystal investigations, Hirshfeld surface analysis, DFT studies, molecular dynamics simulations, molecular docking, physico-chemical characterization and biological activity of novel thiocyanic complex with zinc transition metal precursor

    المؤلفون: Makhlouf, Jawher, El Bakri, Youness, Valkonen, Arto, Saravanan, Kandasamy, Ahmad, Sajjad, Smirani, Wajda

    مصطلحات موضوعية: metal, thiocyanate, crystal structure, antibacterial activities, DFT calculations, molecular docking, molecular dynamics simulation, simulointi, molekyylidynamiikka, sinkki (metallit), kompleksiyhdisteet, organometalliyhdisteet, tiheysfunktionaaliteoria, kiteet

    وصف الملف: application/pdf; fulltext

    Relation: Polyhedron; 222; CONVID_147247553

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202402161917

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  15. 15
    Academic Journal
    Self-assembly of new cobalt complexes based on [Co(SCN)4], synthesis, empirical, antioxidant activity, and quantum theory investigations

    المؤلفون: Ferchichi, Amal, Makhlouf, Jawher, El Bakri, Youness, Saravanan, Kandasamy, Valkonen, Arto, Hashem, Heba E., Ahmad, Sajjad, Smirani, Wajda

    مصطلحات موضوعية: koboltti, kemiallinen synteesi, kompleksiyhdisteet, antioksidantit, kvanttikemia

    وصف الملف: application/pdf; fulltext

    Relation: Scientific Reports; 12; CONVID_156789672

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202209294734

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  16. 16
    Academic Journal
    Crystal structure and electronic structure calculations of a novel organic triphosphate complex: excellent electrochemical properties with ultra-efficient lithium storage capacity.

    المؤلفون: Makhlouf, Jawher, El Bakri, Youness, Bian, Wensheng, Ahsin, Atazaz, Al-Salahi, Rashad, Valkonen, Arto, Smirani, Wajda

    المصدر: New Journal of Chemistry; 6/21/2024, Vol. 48 Issue 23, p10507-10521, 15p

    مصطلحات موضوعية: ATOMS in molecules theory, CRYSTAL structure, HEAT of formation, GIBBS' free energy, IMPEDANCE spectroscopy


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  17. 17
    Academic Journal
    Single crystal investigations, hirshfeld surface analysis, DFT studies, Molecular docking and Physico-Chemical characterization of a Cu(II) dimethylpiperazinium salt

    المؤلفون: Makhlouf, Jawher, Valkonen, Arto, Smirani, Wajda

    مصطلحات موضوعية: Organic–inorganic hybrid material, X-ray single-crystal structure, TD-DFT calculations, spectroscopic studies, kemiallinen synteesi, kompleksiyhdisteet, vetysidokset, suolat, röntgenkristallografia, spektroskopia, kupari

    وصف الملف: application/pdf; 1085-1102; fulltext

    Relation: Journal of Coordination Chemistry; 9-10; 77; CONVID_216061728

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-202412047640

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  18. 18
    Academic Journal
    Metamagnetism and canted antiferromagnetic ordering in two monomeric CoII complexes with 1-(2-pyrimidyl)piperazine. Hirshfeld surface analysis and theoretical studies.

    المؤلفون: Hannachi, Anissa, El Bakri, Youness, Saravanan, Kandasamy, Gómez-García, Carlos J., Abuelizz, Hatem A., Al-Salahi, Rashad, Smirani, Wajda

    المصدر: RSC Advances; 2024, Vol. 14 Issue 16, p11557-11569, 13p

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  19. 19
    Academic Journal
    Biocompatible conjugated fluorenylporphyrins for two-photon photodynamic therapy and fluorescence imaging

    المؤلفون: Shi, Limiao, Nguyen, Christophe, Daurat, Morgane, Dhieb, Abdelhamid Chiheb, Smirani, Wajda, Blanchard‐desce, Mireille, Gary-Bobo, Magali, Mongin, Olivier, Paul-Roth, Christine, Paul, Frédéric

    المساهمون: Institut des Sciences Chimiques de Rennes (ISCR), Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut des Biomolécules Max Mousseron Pôle Chimie Balard (IBMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Université de Carthage (Tunisie) (UCAR), Institut des Sciences Moléculaires (ISM), Université Montesquieu - Bordeaux 4-Université Sciences et Technologies - Bordeaux 1 (UB)-École Nationale Supérieure de Chimie et de Physique de Bordeaux (ENSCPB)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), CD35 and CD85, Ligue Contre le Cancer, China Scholarship Council

    المصدر: ISSN: 1359-7345.

    مصطلحات موضوعية: [CHIM.THER]Chemical Sciences/Medicinal Chemistry

    Relation: info:eu-repo/semantics/altIdentifier/pmid/31553001; hal-02307031; https://univ-rennes.hal.science/hal-02307031; https://univ-rennes.hal.science/hal-02307031/document; https://univ-rennes.hal.science/hal-02307031/file/Shi%20et%20al-2019-Biocompatible%20conjugated%20fluorenylporphyrins.pdf; PUBMED: 31553001

    الاتاحة: https://univ-rennes.hal.science/hal-02307031
    https://univ-rennes.hal.science/hal-02307031/document
    https://univ-rennes.hal.science/hal-02307031/file/Shi%20et%20al-2019-Biocompatible%20conjugated%20fluorenylporphyrins.pdf
    https://doi.org/10.1039/c9cc05657b

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  20. 20
    Academic Journal
    Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material (C10H15N2)2H2P2O7

    المؤلفون: Oueslati, Yathreb, Kansız, Sevgi, Valkonen, Arto, Sahbani, Thameur, Dege, Necmi, Smirani, Wajda

    مصطلحات موضوعية: non-centrosymmetric hybrid material, crystal structure, DFT, MEP, Mulliken charges, HOMO-LUMO

    وصف الملف: application/pdf; 499-507; fulltext

    Relation: Journal of Molecular Structure; 1196; 314343; Suomen Akatemia; Research Council of Finland; CONVID_31287332

    الاتاحة: http://urn.fi/URN:NBN:fi:jyu-201907293692

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