المؤلفون: Ali Ben Ahmed

المصدر: Polytechnic, Vol 14, Iss 2, Pp 38-47 (2024)

مصطلحات موضوعية: nanostructures, nickel ferrite, computational investigation, chemical descriptors, Science

وصف الملف: electronic resource

Relation: https://polytechnic-journal.epu.edu.iq/home/vol14/iss2/4; https://doaj.org/toc/2707-7799

URL الوصول: https://doaj.org/article/68ac3d695b3e48a5928bc2484cc04816

المؤلفون: Wang, Y. -C, Chen, X., Alvey, Gregory R., Shatskiy, Andrey, 1989, Liu, Jianquan, Kärkäs, Markus D., 1984, Wang, X. -S

المصدر: Organic Chemistry Frontiers. 9(15):4158-4163

مصطلحات موضوعية: Copper, Cyanides, Ketones, Computational investigation, Condition, Experimental investigations, Isocyanides, Olefination, Organic synthesis, Simple approach, Vinyl sulfones, Wittig reaction, [3+2]-cycloaddition, Aldehydes

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-325275
https://doi.org/10.1039/d2qo00472k

المؤلفون: Rongbing Huang, Muhammad Farhan Hanif, Muhammad Faisal Hanif, Muhammad Kamran Siddiqui, Tayyaba Noor, Douhadji Abalo

مصطلحات موضوعية: Biochemistry, Genetics, Molecular Biology, Evolutionary Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, understood structural features, underlying principles governing, thorough computational investigation, structural information available, rigorous statistical analysis, extensive statistical investigation, topological indices relevant, different topological indices, analyzing topological indices, work makes use, current materials research, fluoride network structure, topological indices, providing insights, properties inherent, important fields, crystalline qualities

Relation: https://figshare.com/articles/online_resource/Analyzing_Topological_Indices_and_Heat_of_Formation_for_Copper_II_Fluoride_Network_via_Curve_Fitting_Models/25406488

الاتاحة: https://doi.org/10.6084/m9.figshare.25406488.v1

المؤلفون: Cesari, C, Bortoluzzi, M, Femoni, C, Iapalucci, MC, Zacchini, S

المساهمون: Cesari, C, Bortoluzzi, M, Femoni, C, Iapalucci, MC, Zacchini, S

مصطلحات موضوعية: Cluster compound, Carbonyl ligand, Mercurophilic interaction, Computational investigation, Heterometallic bonds

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000895938800004; volume:545; firstpage:1; lastpage:13; numberofpages:13; journal:INORGANICA CHIMICA ACTA; https://hdl.handle.net/11585/911460; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85141807516

الاتاحة: https://hdl.handle.net/11585/911460
https://doi.org/10.1016/j.ica.2022.121281

المؤلفون: Hormann, Jan, Verbitsky, Olga, Zhou, Xiaoyu, Battistella, Beatrice, Meer, Margarete van der, Sarkar, Biprajit, Zhao, Cunyuan, Kulak, Nora

مصطلحات موضوعية: nucleolytic Cu(ii) cyclen complexes, heteroatom substitution, experimental and computational investigation, ddc:540

وصف الملف: 12 Seiten; application/pdf

الاتاحة: https://refubium.fu-berlin.de/handle/fub188/39553
https://doi.org/10.17169/refubium-39271
https://doi.org/10.1039/D2DT03284H

المؤلفون: Ryohei Hisano, Didier Sornette, Takayuki Mizuno

المصدر: Journal of Big Data, Vol 7, Iss 1, Pp 1-19 (2020)

مصطلحات موضوعية: Heterogeneous information network, Computational investigation, Investment exclusion list, Finance, News prediction, Label propagation, Computer engineering. Computer hardware, TK7885-7895, Information technology, T58.5-58.64, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: http://link.springer.com/article/10.1186/s40537-020-00295-9; https://doaj.org/toc/2196-1115

URL الوصول: https://doaj.org/article/b3e75a19cd434157b4d77395edc8e416

المؤلفون: Cong T., Li R., Zheng Z., Ma X., Wu S., Zhang R., Filippo Berto, Sun J., Qian G.

المساهمون: T., Cong, R., Li, Z., Zheng, X., Ma, S., Wu, R., Zhang, Berto, Filippo, J., Sun, G., Qian

مصطلحات موضوعية: finite element method, high-cycle fatigue, plasticity, single crystals, computational investigation, crystal plasticity, cycle fatigue loading, experimental investigation, fatigue indicator parameter, fatigue model, high cycle fatigue, indicator parameter, very-high-cycle fatigue, voronoi tessellations, computational geometry, inclusion, voronoi tessellation

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000795137300003; volume:159; numberofpages:12; journal:INTERNATIONAL JOURNAL OF FATIGUE; http://hdl.handle.net/11573/1654340; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85124194026

الاتاحة: http://hdl.handle.net/11573/1654340
https://doi.org/10.1016/j.ijfatigue.2022.106772

المؤلفون: Manohar Puppala (4432150), Jasmine E. Carrothers (14240253), Nadeem Asad (296985), Mark A. Bernard (14240256), Daniel S. Kim (14240259), Magnus B. Widegren (4396153), Timothy M. Dore (2153848)

مصطلحات موضوعية: Molecular Biology, Neuroscience, Biotechnology, Inorganic Chemistry, Plant Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, resulting triplet energy, photochemical properties determined, computational investigation showed, commonly used form, photon cross sections, thx sensitizer harvested, max , fluorescent glutamate sensor, carbon linker attached, acute brain slice, 347 nm ), light via 2pe, thx antenna resulted, parent compound mni, carbon linker, via 2pe, photon excitation, ppgs ), nine thx, 430 nm, yielding glutamate

Relation: https://figshare.com/articles/journal_contribution/Sensitized_1_Acyl-7-nitroindolines_with_Enhanced_Two-Photon_Cross_Sections_for_Release_of_Neurotransmitters/21701484

الاتاحة: https://doi.org/10.1021/acschemneuro.2c00492.s001

المؤلفون: Shubham Malviya (14251379), Peng Bai (220785)

مصطلحات موضوعية: Biophysics, Biochemistry, Infectious Diseases, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, noncovalent interactions exerted, level shape selectivity, catalyst pore walls, specific barriers show, ts entropy via, lower ts energies, computational procedure consisting, dependent activation barriers, similar across zeolites, averaged activation barriers, ts configurations adapt, dependent ts energetics, accessible ts configurations, much larger number, complexes using force, approach allows us, averaged barriers, ts configurations, dependent reactivity, computational investigation, exchanged zeolites

Relation: https://figshare.com/articles/journal_contribution/Computational_Investigation_of_Site-Dependent_Activation_Barriers_of_Zeolite-Catalyzed_Protolytic_Cracking_Reactions/21717125

الاتاحة: https://doi.org/10.1021/acscatal.2c04192.s001

المؤلفون: Sanaa Hafeez, Sultan M. Al-Salem, Atul Bansode, Alberto Villa, Nikolaos Dimitratos, George Manos, Achilleas Constantinou

المساهمون: Sanaa Hafeez, Sultan M. Al-Salem, Atul Bansode, Alberto Villa, Nikolaos Dimitrato, George Mano, Achilleas Constantinou

مصطلحات موضوعية: formic acid decomposition, Pd/C catalyst, H2 production, computational investigation

وصف الملف: ELETTRONICO

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000746490000001; volume:61; issue:4; firstpage:1655; lastpage:1665; numberofpages:11; journal:INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH; https://hdl.handle.net/11585/895441; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85123527311

الاتاحة: https://hdl.handle.net/11585/895441
https://doi.org/10.1021/acs.iecr.1c04128

المؤلفون: Katherine I. Albanese (7651004), Andrew Leaver-Fay (214911), Joseph W. Treacy (11932068), Rodney Park (12034850), K. N. Houk (1247004), Brian Kuhlman (43313), Marcey L. Waters (477625)

مصطلحات موضوعية: Biochemistry, Neuroscience, Cancer, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, thioether − π, − π interactions, sulfonium − π, sah may contribute, computational studies demonstrate, ammonium − π, sulfonium relative, studies indicated, computational investigation, aromatic interactions, two cofactors, stronger interaction, significantly different, prevalent interaction, polarizability contributes, dependent methyltransferases, close proximity, bound enzymes, aromatic residues

Relation: https://figshare.com/articles/journal_contribution/Comparative_Analysis_of_Sulfonium_Ammonium_and_Sulfur_Interactions_and_Relevance_to_SAM-Dependent_Methyltransferases/19108646

الاتاحة: https://doi.org/10.1021/jacs.1c09902.s001

المؤلفون: Mattei, C.A., Montigaud, V., Gendron, Frédéric, Denis-Quanquin, S., Dorcet, V., Giraud, N., Riobé, François, Argouarch, G., Maury, Olivier, Le Guennic, Boris, Cador, O., Lalli, Claudia, Pointillart, Fabrice

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), Laboratoire de Chimie - UMR5182 (LC), École normale supérieure de Lyon (ENS de Lyon), Université de Lyon-Université de Lyon-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Chimie et de Biochimie Pharmacologiques et Toxicologiques (LCBPT - UMR 8601), Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), 725184SA18006-LnCPLSMMEuropean Research Council, ERCCentre National de la Recherche Scientifique, CNRSUniversité de Rennes 1, ANR-18-EURE-0012,LumoMat-E,Molecular Materials for Organic Electronics/Photonics(2018)

المصدر: ISSN: 2052-1553 ; Inorganic Chemistry Frontiers ; https://hal.science/hal-03164556 ; Inorganic Chemistry Frontiers, 2021, 8 (4), pp.947-962. ⟨10.1039/d0qi01192d⟩.

مصطلحات موضوعية: Dichloromethane, Dichroism, Dysprosium compounds, Ligands, Luminescence, Magnets, Molecules, Nuclear magnetic resonance, One dimensional, Polymers, Computational investigation, Coordination Polymers, Crystal-field splitting, Electronic circular dichroism, Mononuclear structures, Optimized structures, Single-molecule magnet, Structural transformation, Stereochemistry, [CHIM]Chemical Sciences, [CHIM.INOR]Chemical Sciences/Inorganic chemistry

الاتاحة: https://hal.science/hal-03164556
https://hal.science/hal-03164556v1/document
https://hal.science/hal-03164556v1/file/Le%20Guennic_Pointillart_2021_Solid-state%20versus%20solution%20investigation%20of%20a%20luminescent%20chiral_Revised_DyL1solid_vs_solution_preproof.pdf
https://doi.org/10.1039/d0qi01192d

المؤلفون: Seyed Mostafa Fazeli, Vasudevan Kanjirakkad, Christopher Long

مصطلحات موضوعية: rotating cavity flow, LDA measurements, buoyancy induced flow, computational investigation, gas turbine internal air system, axial throughflow

Relation: 10779/uos.23483966.v1; https://figshare.com/articles/journal_contribution/Experimental_and_computational_investigation_of_flow_structure_of_buoyancy_induced_flow_in_heated_rotating_cavities/23483966

الاتاحة: https://figshare.com/articles/journal_contribution/Experimental_and_computational_investigation_of_flow_structure_of_buoyancy_induced_flow_in_heated_rotating_cavities/23483966

المؤلفون: Verònica Postils (1536103), Fernando Ruipérez (1750465), David Casanova (1356870)

مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, strong highest occupied, study provides guidelines, quantum chemistry methods, lying electronic states, triplet excitation energies, 1 , bodipy ground state, state methods, study describes, electronic structure, shell character, physical origin, photophysical properties, molecular chromophores, mild open, large variety, intersystem crossing, important role, extremely relevant, computational tools, computational investigation, complete interpretation, bodipy combining, accurate quantification

Relation: https://figshare.com/articles/journal_contribution/Mild_Open-Shell_Character_of_BODIPY_and_Its_Impact_on_Singlet_and_Triplet_Excitation_Energies/16616000

الاتاحة: https://doi.org/10.1021/acs.jctc.1c00544.s001

المؤلفون: Yunpeng Yao (7066631), Haidong Jiang (839037), Yu Peng (144570), Xinyuan Zhang (578548), Shuang Chen (12981), Xitao Liu (1453150), Junhua Luo (317709)

مصطلحات موضوعية: Medicine, Biotechnology, Evolutionary Biology, Ecology, Developmental Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, room temperature ferroelectricity, remarkable photoelectric properties, layered hybrid perovskites, ferroelectric working temperature, fascinating family remains, computational investigation reveals, bulk photovoltaic effect, notable saturation polarization, molecular design strategy, curie temperature (<, 7 , 6 , 5 , aromatic cation alloying, c , 2 , aromatic cation, >< sub, rational design, attractive polarization, (< b, superior stability

Relation: https://figshare.com/articles/journal_contribution/High-Curie_Temperature_Multilayered_Hybrid_Double_Perovskite_Photoferroelectrics_Induced_by_Aromatic_Cation_Alloying/16689237

الاتاحة: https://doi.org/10.1021/jacs.1c05108.s001

المؤلفون: Gongming Peng (1725874), Anaelle Humblot (11786122), Raphael Wischert (1716424), Karine De Oliveira Vigier (1713160), Fan Jiang (144211), Marc Pera-Titus (1484749), François Jérôme (1713151)

مصطلحات موضوعية: Biochemistry, Biotechnology, Sociology, Immunology, Infectious Diseases, Information Systems not elsewhere classified, withdrawing groups ), determining transition state, functionalized aniline derivatives, various nonactivated alkenes, nonactivated alkenes, activated alkenes, work opens, two cheap, triflate anion, thus assisting, selective acid, requires one, practical point, mostly restricted, low reactivity, longstanding goal, important precursors, hydroamination selectivity, high selectivity, high interest, economical fashion, computational investigation, combined experimental, catalytic access

Relation: https://figshare.com/articles/journal_contribution/Selective_Acid-Catalyzed_Hydroarylation_of_Nonactivated_Alkenes_with_Aniline_Assisted_by_Hexafluoroisopropanol/17118553

الاتاحة: https://doi.org/10.1021/acs.joc.1c02197.s001

المؤلفون: Jonathan Pfeiffer (11067838), Clemens Trost (11067841), Anna Pachkovska (11067844), Frank Tambornino (1525960)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Physiology, Sociology, Inorganic Chemistry, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, interpretation, carbonyl, 2 exhibits, Computational Investigation, single-crystal X-ray diffraction, Spectroscopic, vibrational spectra, Quantum-chemical calculations, oxalyl chloride, Raman spectroscopy, oxalyl diisothiocyanate, molecule, phosgene, Oxalyl Diisothiocyanate Carbonyl di., formation, compound, Crystallographic, 1 exhibits

Relation: https://figshare.com/articles/journal_contribution/A_Crystallographic_Spectroscopic_and_Computational_Investigation_of_Carbonyl_and_Oxalyl_Diisothiocyanate/14901049

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c01421.s001

المؤلفون: Ikram Yagoub (11140607), Martin Clémancey (1312968), Pierre-Alain Bayle (1688170), Adrien Quintard (1796095), Guillaume Delattre (11140610), Geneviève Blondin (1312971), Amélie Kochem (1642603)

مصطلحات موضوعية: Biochemistry, Microbiology, Molecular Biology, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, water stabilities, Computational Investigation, species, hydrogenation reactions, Iron Cyclopentadienone Complex, transfer hydrogenation reactions

Relation: https://figshare.com/articles/journal_contribution/Mo_ssbauer_Spectroscopic_and_Computational_Investigation_of_An_Iron_Cyclopentadienone_Complex/14988689

الاتاحة: https://doi.org/10.1021/acs.inorgchem.1c01155.s001

المؤلفون: Taveechai Wititsuwannakul (1429804), Michael B. Hall (1341369), John A. Gladysz (1314123)

مصطلحات موضوعية: Biophysics, Mental Health, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Re, frontside displacements, favor interchange mechanisms, indenyl complexes, cyclopentadienyl slippage, displacing dichloromethane, retention, theory studies, ClCH, Dichloromethane Ligand Substitution, ethyl chloride, PPh 3 ligand, nucleophiles favor, transition states, anchimeric assistance, Functional Equivalent, Cl, dichloromethane ligand, substitution pathways, Computational Investigation, dimethyl sulfide, group participation, eighteen-valence-electron complexes, Chiral Lewis

Relation: https://figshare.com/articles/journal_contribution/Computational_Investigation_of_Dichloromethane_Ligand_Substitution_in_the_Enantiopure_Cation_sup_5_sup_C_sub_5_sub_H_sub_5_sub_Re_NO_PPh_sub_3_sub_ClCH_sub_2_sub_Cl_sup_sup_a_Functional_Equivalent_of_a_Chiral_Lewis_Acid/14143769

الاتاحة: https://doi.org/10.1021/acs.organomet.1c00006.s001

المؤلفون: Elham Easy (10306273), Yuan Gao (159945), Yingtao Wang (5369336), Dingkai Yan (10306276), Seyed M. Goushehgir (10306279), Eui-Hyeok Yang (1473901), Baoxing Xu (1544218), Xian Zhang (191440)

مصطلحات موضوعية: Biophysics, Genetics, Pharmacology, Biotechnology, Marine Biology, Inorganic Chemistry, Science Policy, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, research interest, conductivitie, Three-Layer WSe 2 Two-dimensional m., transition metal dichalcogenides, absorption coefficient, 2 L, conductance values, 1 L WSe 2, full-atom nonequilibrium, laser spot sizes, WSe 2, opto-thermal Raman technique, MW, TMDC material WSe 2, NEMD, measurement technique, Computational Investigation, transport properties, dynamics simulations

Relation: https://figshare.com/articles/journal_contribution/Experimental_and_Computational_Investigation_of_Layer-Dependent_Thermal_Conductivities_and_Interfacial_Thermal_Conductance_of_One-_to_Three-Layer_WSe_sub_2_sub_/14219536

الاتاحة: https://doi.org/10.1021/acsami.0c21045.s001