المؤلفون: Garau Rosselló, Carolina

المساهمون: University/Department: Universitat de les Illes Balears. Departament de Química

مرشدي الرسالة: Frontera Beccaria, Antonio, Deyà Serra, Pere M.

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: cálculos ab initio, interacción anión-pi, sistemas pi, aniones, interacciones moleculares, càlculs ab initio, interacció anió-pi, sistemes pi, anions, Interaccions moleculars, molecular interactions, pi systems, anion-pi interaction, ab initio calculations, Àrea de Química Orgànica

وصف الملف: application/pdf

الوصول الحر: http://www.tdx.cat/TDX-0920106-113827Test
http://hdl.handle.net/10803/9451Test

المؤلفون: Labella, Jorge, Durán‐Sampedro, Gonzalo, Krishna, Swathi, Martínez‐Díaz, M. Victoria, Guldi, Dirk M., Torres, Tomás

مصطلحات موضوعية: BODIPY, Conjugation, Dyes/Pigments NIR, pi-Systems, Ciencias, 23 Química

وصف الملف: application/pdf

العلاقة: info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-116490GB-I00/ES/FUTURA GENERACION DE FTALOCIANINAS Y SUBFTALOCIANINAS PARA FOTOVOLTAICA MOLECULAR, SINTESIS EN SUPERFICIE, Y NANOMEDICINA /; TED2021-131255B-C43; SEV2016-0686; https://hdl.handle.net/20.500.14352/98016Test

الإتاحة: https://doi.org/20.500.14352/98016Test
https://doi.org/10.1002/anie.202214543Test
https://hdl.handle.net/20.500.14352/98016Test

المؤلفون: Bykov, M., Fedotenko, T., Chariton, S., Laniel, D., Glazyrin, K., Hanfland, M., Smith, J. S., Prakapenka, V. B., Mahmood, M. F., Goncharov, A. F., Ponomareva, A. V., Tasnádi, F., Abrikosov, A. I., Bin, Masood, T., Hotz, I., Rudenko, A. N., Katsnelson, M. I., Dubrovinskaia, N., Dubrovinsky, L., Abrikosov, I. A.

المصدر: Phys Rev Lett ; Physical Review Letters

مصطلحات موضوعية: ATOMS, BERYLLIUM COMPOUNDS, EXPERIMENTAL MINERALOGY, GRAPHENE, HIGH PRESSURE ENGINEERING, HONEYCOMB STRUCTURES, NITROGEN, VAN DER WAALS FORCES, CONJUGATED PI-SYSTEMS, ELECTRONIC BAND STRUCTURE, HIGH-PRESSURE CHEMISTRY, HIGH-PRESSURE SYNTHESIS, LASER-HEATED DIAMOND ANVIL CELLS, SQUARE-PLANAR COORDINATION, THEORETICAL CALCULATIONS, VAN DER WAALS BONDS, NITROGEN COMPOUNDS

وصف الملف: application/pdf

العلاقة: info:eu-repo/grantAgreement/RSF//18-12-00492; High-Pressure Synthesis of Dirac Materials: Layered van der Waals Bonded BeN4 Polymorph / M. Bykov, T. Fedotenko, S. Chariton, et al. — DOI 10.1103/PhysRevLett.126.175501 // Physical Review Letters. — 2021. — Vol. 126. — Iss. 17. — 175501.; 319007; Final; All Open Access, Green; https://www.scopus.com/inward/record.uri?eid=2-s2.0-85105622488&doi=10.1103%2fPhysRevLett.126.175501&partnerID=40&md5=89735f65f55d94c09c1693ef0ae4b588Test; http://arxiv.org/pdf/2010.15774Test; http://elar.urfu.ru/handle/10995/102924Test; 85105622488; 000652836300006

الإتاحة: https://doi.org/10.1103/PhysRevLett.126.175501Test
http://elar.urfu.ru/handle/10995/102924Test
http://arxiv.org/pdf/2010.15774Test

المؤلفون: Pfeifer, Gregor, Chahdoura, Faouzi, Papke, Martin, Weber, Manuela, Szücs, Rozsa, Geffroy, Bernard, Tondelier, Denis, Nyulászi, László, Hissler, Muriel, Müller, Christian

المساهمون: Freie Universität Berlin, 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), Budapest University of Technology and Economics Budapest (BME), Laboratoire de physique des interfaces et des couches minces Palaiseau (LPICM), École polytechnique (X)-Centre National de la Recherche Scientifique (CNRS), Laboratoire Innovation en Chimie des Surfaces et NanoSciences (LICSEN UMR 3685), Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M) (NIMBE UMR 3685), Institut Rayonnement Matière de Saclay (DRF) (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut Rayonnement Matière de Saclay (DRF) (IRAMIS), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), OTKA NN 113772 andBME-Nanotechnology FIKP grant of EMMI (BME FIKP-NAT), the Alexander von Humboldt Foundation, Deutsche Forschungsgemeinschaft (MU1657/5-1)

المصدر: ISSN: 0947-6539.

مصطلحات موضوعية: heterocycles, phosphinine, OLED, DFT calculations, pi-systems, [CHIM.MATE]Chemical Sciences/Material chemistry

العلاقة: info:eu-repo/semantics/altIdentifier/pmid/32092780; cea-02495105; https://cea.hal.science/cea-02495105Test; https://cea.hal.science/cea-02495105/documentTest; https://cea.hal.science/cea-02495105/file/Pfeifer%20et%20al-2020-Synthesis,%20Electronic%20Properties%20and%20OLED%20Devices%20of%20Chromophores%20Based%20on.pdfTest; PUBMED: 32092780

الإتاحة: https://doi.org/10.1002/chem.202000932Test
https://cea.hal.science/cea-02495105Test
https://cea.hal.science/cea-02495105/documentTest
https://cea.hal.science/cea-02495105/file/Pfeifer%20et%20al-2020-Synthesis,%20Electronic%20Properties%20and%20OLED%20Devices%20of%20Chromophores%20Based%20on.pdfTest

المؤلفون: Davydenko I., Barlow S., Sharma R., Benis S., Simon J., Allen T.G., Cooper M.W., Khrustalev V., Jucov E.V., Castañeda R., Ordonez C., Li Z., Chi S.-H., Jang S.-H., Parker T.C., Timofeeva T.V., Perry J.W., Jen A.K.-Y., Hagan D.J., Marder S.R., Van Stryland E.W.

المصدر: Journal of the American Chemical Society

مصطلحات موضوعية: Bromine compounds, Chlorine compounds, Functionalized, Intermolecular interactions, Oxidative additions, Perylene diimides, Pi interactions, Pi systems, X-ray structure, Fighter aircraft, bromine, carbon, dye, merocyanine, nucleophile, palladium, perylene, perylene diimide, unclassified drug, absorption, Article, covalent bond, crystal structure, molecular interaction, quantum yield

العلاقة: https://doi.org/10.1021/jacs.6b06361Test; https://openrepository.ru/article?id=254363Test

الإتاحة: https://doi.org/10.1021/jacs.6b06361Test
https://openrepository.ru/article?id=254363Test

المؤلفون: Sami Salama Hussen Hajjaj, Mohamed Thariq Hameed Sultan, Muhammad Hafizuddin Moktar, Seng Hua Lee

المصدر: Water; Volume 12; Issue 2; Pages: 502

مصطلحات موضوعية: Internet of Things (IoT), floodgates, watergates, flood management, open-source development, network-ready controllers, Raspberry Pi systems, open-source IoT clients

جغرافية الموضوع: agris

وصف الملف: application/pdf

العلاقة: Urban Water Management; https://dx.doi.org/10.3390/w12020502Test

الإتاحة: https://doi.org/10.3390/w12020502Test

المؤلفون: Pfeifer, Gregor, Chahdoura, Faouzi, Papke, Martin, Weber, Manuela, Szűcs, Rózsa, Geffroy, Bernard, Tondelier, Denis, Nyulászi, László, Hissler, Muriel, Müller, Christian

مصطلحات موضوعية: DFT calculations, heterocycles, OLEDs, phosphinines, pi systems, ddc:546

وصف الملف: 10 Seiten; application/pdf

العلاقة: https://refubium.fu-berlin.de/handle/fub188/28062Test; http://dx.doi.org/10.17169/refubium-27812Test

الإتاحة: https://doi.org/10.17169/refubium-27812Test
https://doi.org/10.1002/chem.202000932Test
https://refubium.fu-berlin.de/handle/fub188/28062Test

المؤلفون: Pfeifer, Gregor, Chahdoura, Faouzi, Papke, Martin, Weber, Manuela, Szucs, Rozsa, Geffroy, Bernard, Tondelier, Denis, Nyulaszi, Laszlo, Hissler, Muriel, Müller, Christian Christian

مصطلحات موضوعية: DFT calculations, heterocycles, OLEDs, phosphinines, pi systems, ddc:540

وصف الملف: 10 Seiten; application/pdf

العلاقة: https://refubium.fu-berlin.de/handle/fub188/28220Test; http://dx.doi.org/10.17169/refubium-27970Test

الإتاحة: https://doi.org/10.17169/refubium-2797010.1002/chem.202000932Test
https://refubium.fu-berlin.de/handle/fub188/28220Test

المؤلفون: Karolis Norvaisa (10027383), Kathryn Yeow (10027385), Brendan Twamley (8609181), Marie Roucan (10027388), Mathias Senge (8211819)

مصطلحات موضوعية: Bioorganic Chemistry, Organic Compounds and Functional Groups, Supramolecular Chemistry (Org.), Crystallography – Organic, Atropisomers, Porphyrinoids, Curved pi-systems, Supramolecular chemistry, Picket fence, Nonplanar porphyrins

العلاقة: https://figshare.com/articles/preprint/Strategic_Synthesis_of_Picket_Fence_Porphyrins_Based_on_Nonplanar_Macrocycles/13633958Test

الإتاحة: https://doi.org/10.26434/chemrxiv.13633958.v1Test

المؤلفون: Sundholm, Dage, Berger, Raphael J. F., Fliegl, Heike

المساهمون: Department of Chemistry

مصطلحات موضوعية: INDEPENDENT CHEMICAL-SHIFTS, INCLUDING ATOMIC ORBITALS, CURRENT MODEL, WORKSTATION COMPUTERS, PERTURBATION-THEORY, GLOBAL-MINIMUM, PI-SYSTEMS, BASIS-SETS, ENERGY, NAPHTHALENE, 116 Chemical sciences, 114 Physical sciences

وصف الملف: application/pdf

العلاقة: This work was supported by the Academy of Finland through projects (266227 and 275845). We acknowledge the Magnus Ehrnrooth Foundation for financial support. DS thanks the Swedish Cultural Foundation in Finland, the Alexander von Humboldt Stiftung, and the Fulbright Foundation for financial support. We thank the Norwegian Research Council for financial support through the CoE Centre for Theoretical and Computational Chemistry (Grant No. 179568/V30 and 231571/F20). The computational resources were provided by CSC - the Finnish IT Center for Science - and the Norwegian Supercomputing Program NOTUR (Grant No. NN4654K).; Sundholm , D , Berger , R J F & Fliegl , H 2016 , ' Analysis of the magnetically induced current density of molecules consisting of annelated aromatic and antiaromatic hydrocarbon rings ' , Physical Chemistry Chemical Physics , vol. 18 , no. 23 , pp. 15934-15942 . https://doi.org/10.1039/c6cp01968dTest; ORCID: /0000-0002-2367-9277/work/28864310; 84973638069; dba50e90-070d-492d-bd55-92f261bdb16a; http://hdl.handle.net/10138/224360Test; 000378243000056

الإتاحة: http://hdl.handle.net/10138/224360Test