يعرض 1 - 20 نتائج من 55 نتيجة بحث عن '"Christopher Jeyakumar, Thayalaraj"', وقت الاستعلام: 0.45s تنقيح النتائج
  1. 1
    Academic Journal
    Synthesis, spectral analysis, DFT studies and Biological application of (E)-3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one

    المؤلفون: Sankar, Rathinam, Gnanasambandam, Vasuki, Yeswanth Kumar, Santhakumar, Thomas, Jisha Mary, Christopher Jeyakumar, Thayalaraj

    المساهمون: University Grants Commission

    المصدر: Chemical Physics Impact ; volume 8, page 100530 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2024.100530
    https://api.elsevier.com/content/article/PII:S2667022424000744?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022424000744?httpAccept=text/plain

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  2. 2
    Academic Journal
    Unraveling the secrets of molecular and electronic structures of [Fe(CO)4(GeX)]: A DFT study

    المؤلفون: Immanuel, Selvaraj, Abimathi, Arivalagan, Manivarman, S., Rajaram, Rajendran, Adaikalaraj, Chinnappan, Paularokiadoss, Francisxavier, Christopher Jeyakumar, Thayalaraj

    المصدر: Chemical Physics Impact ; volume 8, page 100415 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2023.100415
    https://api.elsevier.com/content/article/PII:S2667022423002542?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022423002542?httpAccept=text/plain

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  3. 3
    Academic Journal
    An efficient synthesis, structural analysis, and computational studies of benzothiazole derivatives activated by formic acid under solvent-free conditions

    المؤلفون: Abdalkarim, Karzan Aziz, Mohammed, Sewara Jalal, Hasan, Aso Hameed, Omer, Khalid M., Paularokiadoss, Francisxavier, Hamarouf, Rebaz Fayaq, Aziz, Kosar Hikmat Hama, Hassan, Hanar Qadir, Christopher Jeyakumar, Thayalaraj

    المصدر: Chemical Physics Impact ; volume 8, page 100402 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2023.100402
    https://api.elsevier.com/content/article/PII:S2667022423002414?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022423002414?httpAccept=text/plain

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  4. 4
    Academic Journal
    Understanding the electronic structure of the alkaloid in scorpion venom through drug adsorption and molecular docking studies on COVID-19 proteins

    المؤلفون: Ilavarasi, Anbumani Velmurugan, Paularokiadoss, Francisxavier, Novena, L. Mary, Pooventhiran, T., Erkan, Sultan, Celaya, Christian A., Thomas, Renjith, Ampasala, Dinakara Rao, Christopher Jeyakumar, Thayalaraj

    المساهمون: Indian Council of Medical Research

    المصدر: Chemical Physics Impact ; volume 7, page 100289 ; ISSN 2667-0224

    الاتاحة: http://dx.doi.org/10.1016/j.chphi.2023.100289
    https://api.elsevier.com/content/article/PII:S2667022423001299?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2667022423001299?httpAccept=text/plain

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  5. 5
    Academic Journal
    A DFT Analysis of Structural and Electronic Features of [Mo(CO)6‐n(SiX)n] (n=1, 2 and 3, and X=O, S, Se and Te) Complexes.

    المؤلفون: Sivan, Akhil K., Thomas, Jisha Mary, Christopher Jeyakumar, Thayalaraj

    المصدر: ChemistrySelect; 9/25/2024, Vol. 9 Issue 36, p1-10, 10p

    مصطلحات موضوعية: BAND gaps, MOLECULAR structure, ATOMIC charges, CARBON monoxide, ELECTRONIC structure


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  6. 6
    Academic Journal
    A DFT Analysis of Structural and Electronic Features of [Mo(CO) 6‐n (SiX) n ] (n=1, 2 and 3, and X=O, S, Se and Te) Complexes

    المؤلفون: Sivan, Akhil K., Thomas, Jisha Mary, Christopher Jeyakumar, Thayalaraj

    المصدر: ChemistrySelect ; volume 9, issue 36 ; ISSN 2365-6549 2365-6549

    الاتاحة: http://dx.doi.org/10.1002/slct.202402293

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  7. 7
    Academic Journal
    Organometallic tin monochalcogenides [SnX (X = O, S, Se, and Te)] as alternative ligands for carbonyls: A DFT study

    المؤلفون: Immanuel, Selvaraj, Nishalini, Selvaraj, Manivarman, S., Paularokiadoss, Francisxavier, Bhakiaraj, D., Christopher Jeyakumar, Thayalaraj

    المصدر: Computational and Theoretical Chemistry ; volume 1233, page 114514 ; ISSN 2210-271X

    الاتاحة: http://dx.doi.org/10.1016/j.comptc.2024.114514
    https://api.elsevier.com/content/article/PII:S2210271X24000537?httpAccept=text/xml
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  8. 8
    Academic Journal
    Application of Density Functional Theory in Coordination Chemistry : A Case Study of Group 13 Monohalide as a Ligand

    المؤلفون: Christopher Jeyakumar, Thayalaraj

    المساهمون: Paularokiadoss, Francisxavier

    المصدر: MODID-6d55e02e354:IntechOpen

    مصطلحات موضوعية: Science / Chemistry, bisacsh:SCI013000

    وصف الملف: application/pdf

    Relation: https://openresearchlibrary.org/viewer/8977bbb5-b476-4cb4-a86a-70c979ee2730; https://openresearchlibrary.org/ext/api/media/8977bbb5-b476-4cb4-a86a-70c979ee2730/assets/external_content.pdf

    الاتاحة: https://openresearchlibrary.org/viewer/8977bbb5-b476-4cb4-a86a-70c979ee2730
    https://openresearchlibrary.org/ext/api/media/8977bbb5-b476-4cb4-a86a-70c979ee2730/assets/external_content.pdf

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  9. 9
    Academic Journal
    Insight into the crystal structure analysis, vibrational studies, reactivities (MESP, HOMO-LUMO, NBO), and the anticancer activities of ruthenium diazide [Ru(POP)(PPh3)(N3)2] complex by molecular docking approach

    المؤلفون: Christopher Jeyakumar, Thayalaraj, Timothy, Rawlings A., Godfrey, Obinna C., Rajaram, Rajendran, Agwamba, Ernest C., Offiong, Offiong E., Louis, Hitler

    المصدر: Inorganic Chemistry Communications ; volume 158, page 111714 ; ISSN 1387-7003

    الاتاحة: http://dx.doi.org/10.1016/j.inoche.2023.111714
    https://api.elsevier.com/content/article/PII:S1387700323013266?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S1387700323013266?httpAccept=text/plain

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  10. 10
    Academic Journal
    Synthesis, structure, DNA/BSA binding, antibacterial and molecular docking studies of tetradentate ONNO schiff base metal complexes

    المؤلفون: Salomanravi, A., Muthuselvan, P., Paularokiadoss, Francisxavier, Christopher Jeyakumar, Thayalaraj

    المصدر: Journal of Molecular Structure ; volume 1287, page 135570 ; ISSN 0022-2860

    الاتاحة: http://dx.doi.org/10.1016/j.molstruc.2023.135570
    https://api.elsevier.com/content/article/PII:S0022286023006671?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S0022286023006671?httpAccept=text/plain

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  11. 11
    Academic Journal
    A DFT study on structural and bonding analysis of transition-metal carbonyls [M(CO)4] with terminal silicon chalcogenides complexes [M(CO)3SiX] (M = Ni, Pd, and Pt; X = O, S, Se, and Te)

    المؤلفون: Vetri, Palani, Paularokiadoss, Francisxavier, Celaya, Christian A., Mary Novena, L., Thomas, Jisha Mary, Christopher Jeyakumar, Thayalaraj

    المصدر: Computational and Theoretical Chemistry ; volume 1226, page 114214 ; ISSN 2210-271X

    الاتاحة: http://dx.doi.org/10.1016/j.comptc.2023.114214
    https://api.elsevier.com/content/article/PII:S2210271X23001962?httpAccept=text/xml
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  12. 12
    Academic Journal
    Possibility of reducing the coordinated dinitrogen into ammonia and hydrazine using [Ru-L] (L = triamidoamine) and FLP-H $$_{2}$$ 2 : A DFT study

    المؤلفون: Christopher Jeyakumar, Thayalaraj, Baskaran, Sambath, Sivasankar, Chinnappan

    المساهمون: Science and Engineering Research Board

    المصدر: Journal of Chemical Sciences ; volume 130, issue 6 ; ISSN 0974-3626 0973-7103

    الاتاحة: http://dx.doi.org/10.1007/s12039-018-1460-1
    http://link.springer.com/article/10.1007/s12039-018-1460-1/fulltext.html
    http://link.springer.com/content/pdf/10.1007/s12039-018-1460-1.pdf

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  13. 13
    Academic Journal
    “Micellar catalysis on the electron transfer reactions of iron(III)-polypyridyl complexes with sulfur-containing amino acids”

    المؤلفون: John Adaikalasamy, K., Rajagopal, Seenivasan, Jancirani, A., Brightson Arul Jacob, Y., Christopher Jeyakumar, Thayalaraj

    المصدر: Chemical Papers ; volume 76, issue 7, page 4225-4234 ; ISSN 0366-6352 2585-7290

    الاتاحة: http://dx.doi.org/10.1007/s11696-022-02165-5
    https://link.springer.com/content/pdf/10.1007/s11696-022-02165-5.pdf
    https://link.springer.com/article/10.1007/s11696-022-02165-5/fulltext.html

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  14. 14
    Academic Journal
    Vanillin based colorimetric and fluorometric chemosensor for detection of Cu(II) ion: DFT calculation, DNA / BSA interaction and molecular docking studies

    المؤلفون: Gurusamy, Shunmugasundaram, Nandini Asha, Radhakrishnan, Sankarganesh, Murugesan, Christopher Jeyakumar, Thayalaraj, Mathavan, Alagarsamy

    المصدر: Inorganic Chemistry Communications ; volume 143, page 109716 ; ISSN 1387-7003

    الاتاحة: http://dx.doi.org/10.1016/j.inoche.2022.109716
    https://api.elsevier.com/content/article/PII:S138770032200524X?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S138770032200524X?httpAccept=text/plain

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  15. 15
    Academic Journal
    Group 13 monohalides [AX (A = B, Al, Ga and In; X = Halogens)] as alternative ligands for carbonyl in organometallics: Electronic structure and bonding analysis

    المؤلفون: Paularokiadoss, Francisxavier, Christopher Jeyakumar, Thayalaraj, Thomas, Renjith, Sekar, Alagan, Bhakiaraj, D.

    المصدر: Computational and Theoretical Chemistry ; volume 1209, page 113587 ; ISSN 2210-271X

    الاتاحة: http://dx.doi.org/10.1016/j.comptc.2021.113587
    https://api.elsevier.com/content/article/PII:S2210271X2100445X?httpAccept=text/xml
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  16. 16
    Academic Journal
    Exploring the Fe doped borazine system as a promising CFC adsorbent: A DFT study

    المؤلفون: Paularokiadoss, Francisxavier, Adaikalaraj, Chinnappan, Marianathan, Mariyan Sebastian, Anand, Gaspar, Periyasamy, Sundaram, Christopher Jeyakumar, Thayalaraj, Reina, Miguel, Celaya, Christian A.

    المصدر: Computational and Theoretical Chemistry ; volume 1217, page 113903 ; ISSN 2210-271X

    الاتاحة: http://dx.doi.org/10.1016/j.comptc.2022.113903
    https://api.elsevier.com/content/article/PII:S2210271X22003164?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2210271X22003164?httpAccept=text/plain

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  17. 17
    Academic Journal
    Computational studies of adsorption of dinitrogen over the group 8 metal-borazine complexes

    المؤلفون: Devi, Lakshmipathy, Kuzhalmozhi Madarasi, Packirisamy, Christopher Jeyakumar, Thayalaraj

    المساهمون: Science and Engineering Research Board, New Delhi, India

    المصدر: Chemical Papers ; volume 76, issue 3, page 1539-1552 ; ISSN 0366-6352 2585-7290

    الاتاحة: http://dx.doi.org/10.1007/s11696-021-01953-9
    https://link.springer.com/content/pdf/10.1007/s11696-021-01953-9.pdf
    https://link.springer.com/article/10.1007/s11696-021-01953-9/fulltext.html

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  18. 18
    Academic Journal
    Chemistry of group-10 metals monohaloalumylene complexes [TM(CO)3AlX]: a DFT study

    المؤلفون: Sekar, Alagan, Paularokiadoss, Francisxavier, Immanuel, Selvaraj, Christopher Jeyakumar, Thayalaraj

    المصدر: Theoretical Chemistry Accounts ; volume 140, issue 8 ; ISSN 1432-881X 1432-2234

    الاتاحة: http://dx.doi.org/10.1007/s00214-021-02801-5
    https://link.springer.com/content/pdf/10.1007/s00214-021-02801-5.pdf
    https://link.springer.com/article/10.1007/s00214-021-02801-5/fulltext.html

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  19. 19
    Academic Journal
    Theoretical studies of group 10 metal gallylene complexes [TM(CO)3(GaX)]

    المؤلفون: Paularokiadoss, Francisxavier, Antony Sandosh, Thiruthuvadevaraj, Sekar, Alagan, Christopher Jeyakumar, Thayalaraj

    المصدر: Computational and Theoretical Chemistry ; volume 1197, page 113139 ; ISSN 2210-271X

    الاتاحة: http://dx.doi.org/10.1016/j.comptc.2020.113139
    https://api.elsevier.com/content/article/PII:S2210271X20304394?httpAccept=text/xml
    https://api.elsevier.com/content/article/PII:S2210271X20304394?httpAccept=text/plain

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  20. 20
    Academic Journal
    Construction of frustrated Lewis pair from nitride and phosphine for the activation and cleavage of molecular hydrogen

    المؤلفون: Christopher Jeyakumar, Thayalaraj, Deepa, Masilamani, Baskaran, Sambath, Sivasankar, Chinnappan

    المساهمون: Science and Engineering Research Board

    المصدر: Applied Organometallic Chemistry ; volume 34, issue 10 ; ISSN 0268-2605 1099-0739

    الاتاحة: http://dx.doi.org/10.1002/aoc.5811
    https://onlinelibrary.wiley.com/doi/pdf/10.1002/aoc.5811
    https://onlinelibrary.wiley.com/doi/full-xml/10.1002/aoc.5811

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