المؤلفون: Zhaofeng Sun, Jibo Zong, Hongyuan Ren, Changsheng Lu, Deshuang Tu, Jordi Poater, Miquel Solà, Zhuangzhi Shi, Hong Yan

المصدر: Nature Communications, Vol 15, Iss 1, Pp 1-11 (2024)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/29150e35013e40618984f58831837fb2

المؤلفون: Jordi Poater, Pascal Vermeeren, Trevor A. Hamlin, F. Matthias Bickelhaupt, Miquel Solà

المصدر: Nature Communications, Vol 14, Iss 1, Pp 1-4 (2023)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/80add0ce226c48f2be62d77e0b54a80f

المؤلفون: Jordi Poater, Clara Viñas, Miquel Solà, Francesc Teixidor

المصدر: Nature Communications, Vol 13, Iss 1, Pp 1-8 (2022)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/428cbe883e1b4cddb8f2ba9f3ac1cf65

المؤلفون: Roman Belle, Jos J. A. G. Kamps, Jordi Poater, Kiran Kumar, Bas J. G. E. Pieters, Eidarus Salah, Timothy D. W. Claridge, Robert S. Paton, F. Matthias Bickelhaupt, Akane Kawamura, Christopher J. Schofield, Jasmin Mecinović

المصدر: Communications Chemistry, Vol 5, Iss 1, Pp 1-11 (2022)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2399-3669

URL الوصول: https://doaj.org/article/099bbfd2e1894d158c026e859ca05b14

المؤلفون: Deshuang Tu, Jiaxin Li, Fangxiang Sun, Hong Yan, Jordi Poater, Miquel Solà

المصدر: JACS Au, Vol 1, Iss 11, Pp 2047-2057 (2021)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2691-3704

URL الوصول: https://doaj.org/article/8797f747e798430eb23cba1a0288398f

المؤلفون: Krzysztof K. Zborowski, Jordi Poater

المصدر: ACS Omega, Vol 6, Iss 38, Pp 24693-24699 (2021)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2470-1343

URL الوصول: https://doaj.org/article/ea0f58a2c5ce4c46a64d9cbbd84f037c

المؤلفون: Jordi C. J. Hintzen, Jordi Poater, Kiran Kumar, Abbas H. K. Al Temimi, Bas J. G. E. Pieters, Robert S. Paton, F. Matthias Bickelhaupt, Jasmin Mecinović

المصدر: Molecules, Vol 25, Iss 8, p 1918 (2020)

مصطلحات موضوعية: epigenetics, histone, lysine methylation, molecular recognition, noncovalent interactions, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/25/8/1918; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/34865a8d49ae4bb4b62428446ba1acb3

المؤلفون: Jordi Poater, Miquel Duran, Miquel Solà

المصدر: Frontiers in Chemistry, Vol 6 (2018)

مصطلحات موضوعية: acenes, phenacenes, aromaticity, density functional theory (DFT), energy decomposition analysis (EDA), turn-upside-down approach, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/article/10.3389/fchem.2018.00561/full; https://doaj.org/toc/2296-2646

URL الوصول: https://doaj.org/article/cbcf764a77e04dbcaa4a2c71b01dfdd3

المؤلفون: Shengwen Xu, Hongjian Zhang, Jingkai Xu, Weiqun Suo, Chang-Sheng Lu, Deshuang Tu, Xingwei Guo, Jordi Poater, Miquel Solà, Hong Yan

مصطلحات موضوعية: Biochemistry, Microbiology, Molecular Biology, Neuroscience, Cancer, Inorganic Chemistry, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, single electron transfer, resolved epr technique, protocol also facilitates, new synthetic methods, new reaction strategy, may provide opportunities, important research area, based drug candidates, boron cluster chemistry, >- carboranes initiated, >- carborane cage, >- carboranes, >- carborane, boron clusters, subsequent transformations, stage modification, selenium ethers, resulting transient, nido <, green light, directly probed

Relation: https://figshare.com/articles/journal_contribution/Photoinduced_Selective_B_H_Activation_of_i_nido_i_-Carboranes/25376830

الاتاحة: https://doi.org/10.1021/jacs.4c00550.s001

المؤلفون: Zahra Noori, Dr. Azim Malekzadeh, Prof. Dr. Jordi Poater

المصدر: ChemistryOpen, Vol 13, Iss 3, Pp n/a-n/a (2024)

مصطلحات موضوعية: Alizarin Red S, Brownmillerite, Calcium ferrite, Dye degradation, Tight dye, Chemistry, QD1-999

Relation: https://doi.org/10.1002/open.202300169; https://doaj.org/toc/2191-1363; https://doaj.org/article/dfd7e96390de4c6086ef49cd5fa2acb4

الاتاحة: https://doi.org/10.1002/open.202300169
https://doaj.org/article/dfd7e96390de4c6086ef49cd5fa2acb4

المؤلفون: Emna Rahali, Zahra Noori, Youssef Arfaoui, Jordi Poater

المصدر: International Journal of Molecular Sciences, Vol 25, Iss 13, p 7497 (2024)

مصطلحات موضوعية: chalcogen bond, density functional theory (DFT), energy decomposition analysis, noncovalent interaction, Biology (General), QH301-705.5, Chemistry, QD1-999

Relation: https://www.mdpi.com/1422-0067/25/13/7497; https://doaj.org/toc/1661-6596; https://doaj.org/toc/1422-0067; https://doaj.org/article/d1546ceb31c4493ca5eca8c1fec0582f

الاتاحة: https://doi.org/10.3390/ijms25137497
https://doaj.org/article/d1546ceb31c4493ca5eca8c1fec0582f

المؤلفون: Sergio Posada-Pérez, Jordi Poater, Naeimeh Bahri-Laleh, Albert Poater

المصدر: Catalysts; Volume 13; Issue 2; Pages: 317

مصطلحات موضوعية: COF, MOF, metallic–organic cage, pyrazole, bis(pyrazolyl)methane, heterometallic

وصف الملف: application/pdf

Relation: Catalysis in Organic and Polymer Chemistry; https://dx.doi.org/10.3390/catal13020317

الاتاحة: https://doi.org/10.3390/catal13020317

المؤلفون: Tomasini, Michele, Caporaso, Lucia, Trouvé, Jonathan, Teixidor, Jordi, Poater, Gramage-Doria, Rafael, Poater, Albert

المساهمون: Universitat de Girona = University of Girona (UdG), Università degli Studi di Salerno = University of Salerno (UNISA), 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 de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona (UB), ANR-19-CE07-0039,REMOTCAT,Fonctionalisation "remote" des molecules par catalyse supramoleculaire(2019)

المصدر: ISSN: 0947-6539.

مصطلحات موضوعية: [CHIM.COOR]Chemical Sciences/Coordination chemistry, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.CATA]Chemical Sciences/Catalysis

Relation: hal-03713897; https://univ-rennes.hal.science/hal-03713897; https://univ-rennes.hal.science/hal-03713897/document; https://univ-rennes.hal.science/hal-03713897/file/Chemistry%20A%20European%20J%20-%202022%20-%20Tomasini%20-%20Unravelling%20Enzymatic%20Features%20in%20a%20Supramolecular%20Iridium%20Catalyst%20by.pdf

الاتاحة: https://univ-rennes.hal.science/hal-03713897
https://univ-rennes.hal.science/hal-03713897/document
https://univ-rennes.hal.science/hal-03713897/file/Chemistry%20A%20European%20J%20-%202022%20-%20Tomasini%20-%20Unravelling%20Enzymatic%20Features%20in%20a%20Supramolecular%20Iridium%20Catalyst%20by.pdf
https://doi.org/10.1002/chem.202201970

المؤلفون: Krzysztof K. Zborowski (11432780), Jordi Poater (1637269)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Biotechnology, Ecology, Inorganic Chemistry, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, polarizable continuum model, one water molecule, important heterocyclic compounds, formed hydrogen bonds, density functional theory, continuum water solutions, based aromaticity criteria, single water molecule, several water molecules, 50 water molecules, studied molecules, single pyrrole, pyridine molecules, special attention, mentioned calculations, extensively presented, comprehensive description, comparative purposes, also taken

Relation: https://figshare.com/articles/journal_contribution/Pyrrole_and_Pyridine_in_the_Water_Environment_Effect_of_Discrete_and_Continuum_Solvation_Models/16619483

الاتاحة: https://doi.org/10.1021/acsomega.1c03437.s001

المؤلفون: Deshuang Tu (5869505), Jiaxin Li (441199), Fangxiang Sun (3912355), Hong Yan (27984), Jordi Poater (1637269), Miquel Solà (1378155)

مصطلحات موضوعية: Biochemistry, Medicine, Microbiology, Pharmacology, Biotechnology, Ecology, Cancer, Inorganic Chemistry, Virology, Space Science, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, visible light range, theoretical calculations validate, sup >–, repulsive bonding nature, new research avenue, 4 – 7, based molecular barrier, important photothermal effect, >- carborane clusters, positively charged pyridinium, based noncovalent interactions, based noncovalent bond, state materials carboranes, based noncovalent interaction, noncovalent interactions, based materials, based framework, noncovalent interaction

Relation: https://figshare.com/articles/journal_contribution/Cage_sup_sup_Cage_sup_sup_Interaction_Boron_Cluster-Based_Noncovalent_Bond_and_Its_Applications_in_Solid-State_Materials/16775818

الاتاحة: https://doi.org/10.1021/jacsau.1c00348.s001

المؤلفون: Xiaobo Sun, Thomas Hansen, Jordi Poater, Trevor A. Hamlin, Friedrich Matthias Bickelhaupt

المساهمون: Chemistry and Pharmaceutical Sciences, Organic Chemistry, AIMMS, Theoretical Chemistry

المصدر: Sun, X, Hansen, T, Poater, J, Hamlin, T A & Bickelhaupt, F M 2023, ' Rational design of iron catalysts for C–X bond activation ', Journal of Computational Chemistry, vol. 44, no. 4, pp. 495-505 . https://doi.org/10.1002/jcc.26818
Journal of Computational Chemistry, 44, 4, pp. 495-505
Journal of Computational Chemistry, 44, 495-505
Journal of Computational Chemistry, 44(4), 495-505. John Wiley and Sons Inc.

مصطلحات موضوعية: Computational Mathematics, bond activation, activation strain model, earth-abundant metal catalysis, iron, rational design, General Chemistry, Theoretical Chemistry, Ligands, Catalysis

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45982c99c970c37e671e3ec049b77577
http://www.scopus.com/inward/record.url?scp=85124541896&partnerID=8YFLogxK

المؤلفون: Kai Oberdorf, Anna Hanft, Xiulan Xie, F. Matthias Bickelhaupt, Jordi Poater, Crispin Lichtenberg

المساهمون: Fachbereich Chemie, Chemie

المصدر: Chemical Science, 14, 19, pp. 5214-5219
Chemical Science, 14, 5214-5219

مصطلحات موضوعية: Chemistry + allied sciences, ddc:540, Chemie, General Chemistry, Theoretical Chemistry, Chemistry & allied sciences

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f1baf1fedcefe220da6b03b5a63100e4

المؤلفون: Jie Jian, Darina Barkhatova, Roel Hammink, Paul Tinnemans, F. Matthias Bickelhaupt, Jordi Poater, Jasmin Mecinović

المساهمون: Chemistry and Pharmaceutical Sciences, AIMMS, Theoretical Chemistry

المصدر: Journal of Organic Chemistry, 87, 12, pp. 7875-7883
Journal of Organic Chemistry, 87, 7875-7883
Jian, J, Barkhatova, D, Hammink, R, Tinnemans, P, Bickelhaupt, F M, Poater, J & Mecinović, J 2022, ' Through-Space Stabilization of an Imidazolium Cation by Aromatic Rings ', Journal of Organic Chemistry, vol. 87, no. 12, pp. 7875-7883 . https://doi.org/10.1021/acs.joc.2c00533
Journal of Organic Chemistry, 87(12), 7875-7883. American Chemical Society

مصطلحات موضوعية: Models, Molecular, Cations, Cancer development and immune defence Radboud Institute for Molecular Life Sciences [Radboudumc 2], Organic Chemistry, Imidazoles, Solid State Chemistry, Theoretical Chemistry

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4fa2799ff8700b2bf6a3477a1d3f9303
https://hdl.handle.net/1871.1/b709851a-3294-48cb-a793-ca8a2c75ca20

المؤلفون: Thomas Hansen, Xiaobo Sun, Marco Dalla Tiezza, Willem‐Jan Zeist, Jordi Poater, Trevor A. Hamlin, F. M. Bickelhaupt

المساهمون: Chemistry and Pharmaceutical Sciences, Theoretical Chemistry, AIMMS

المصدر: Chemistry : a European Journal, 28, 26, pp. 1-8
Chemistry: a European Journal, 28(26):e202103953. WILEY-V C H VERLAG GMBH
Chemistry : a European Journal, 28, 1-8
Chemistry-A European Journal, 28(26):e202103953, 1-7. Wiley-VCH Verlag
Hansen, T, Sun, X, Dalla Tiezza, M, van Zeist, W J, Poater, J, Hamlin, T A & Bickelhaupt, F M 2022, ' C(sp n )−X (n=1–3) Bond Activation by Palladium ', Chemistry-A European Journal, vol. 28, no. 26, e202103953, pp. 1-7 . https://doi.org/10.1002/chem.202103953

مصطلحات موضوعية: reactivity, activation strain model, oxidative addition, Organic Chemistry, density functional calculations, General Chemistry, Theoretical Chemistry, homogeneous catalysis, Catalysis

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::91dff01f5cc558636fcabf8febb848ba
https://research.vu.nl/en/publications/60651a89-3b3c-4e08-88c3-5789688dbae8

المؤلفون: Jordi Poater, Cina Foroutan-Nejad, Diego M. Andrada, Miquel Solà

المساهمون: Agencia Estatal de Investigación

المصدر: Physical Chemistry Chemical Physics, 2022, vol. 24, p. 2344-2348
Articles publicats (D-Q)
Poater i Teixidor, Jordi Andrada, Diego M. Solà i Puig, Miquel Foroutan-Nejad, Cina 2022 Path-Dependency of Energy Decomposition Analysis & the Elusive Nature of Bonding Physical Chemistry Chemical Physics 24 2344 2348
DUGiDocs – Universitat de Girona
instname

مصطلحات موضوعية: Physics, General Physics and Astronomy, Decomposition analysis, Chemistry, Physical and theoretical, Grey zone, symbols.namesake, Pauli exclusion principle, Path dependency, Path (graph theory), symbols, Symmetry point group, Statistical physics, Physical and Theoretical Chemistry, Energy (signal processing), Fisicoquímica

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0733ca87c297380c4300b04e1dcd73e
https://doi.org/10.1039/d1cp04135e