المؤلفون: Lei Gan, Pol G. Fonquernie, Mark E. Light, Gantulga Norjmaa, Gregori Ujaque, Duane Choquesillo-Lazarte, Julio Fraile, Francesc Teixidor, Clara Viñas, José G. Planas

المصدر: Molecules, Vol 24, Iss 17, p 3204 (2019)

مصطلحات موضوعية: metal-organic frameworks, open metal sites, boron hydrides, carborane, reversible phase transition, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: https://www.mdpi.com/1420-3049/24/17/3204; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/b89acb41173f41e3a701d8aaa1d0c706

المؤلفون: Andrés M. Álvarez-Constantino (14308687), Andrea Álvarez-Pérez (6870929), Jesús A. Varela (1489324), Giuseppe Sciortino (2870510), Gregori Ujaque (1390182), Carlos Saá (1415170)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Genetics, Neuroscience, Evolutionary Biology, Developmental Biology, Science Policy, Infectious Diseases, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, dft studies unveiled, membered rings ), catalyzed oxidative lactamization, membered rings, vs <, sized ε, n <, lactamization process, external oxidant, common δ, chemoselective process, chain length, capital role, alkyne functionalities, achieve medium, >- oxide

Relation: https://figshare.com/articles/journal_contribution/Chemoselective_Ru-Catalyzed_Oxidative_Lactamization_i_vs_i_Hydroamination_of_Alkynylamines_Insights_from_Experimental_and_Density_Functional_Theory_Studies/21789262

الاتاحة: https://doi.org/10.1021/acs.joc.2c02770.s001

المؤلفون: Gantulga Norjmaa (7148453), Pietro Vidossich (1275279), Jean-Didier Maréchal (1519789), Gregori Ujaque (1390182)

مصطلحات موضوعية: Biophysics, Biochemistry, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, umbrella sampling simulations, gibbs energy barrier, force field parameters, establish efficient protocols, e ., affinities, charge derivation procedure, 12 –, gibbs binding energy, binding affinity trends, supramolecular organometallic cage, correlation analysis identified, bind , 4 , molecular simulations may, associated magnitudes δ, g <, binding processes, understanding may, supramolecular hosts, computed magnitudes, molecular level, >< sub

Relation: https://figshare.com/articles/journal_contribution/Modeling_Kinetics_and_Thermodynamics_of_Guest_Encapsulation_into_the_M_sub_4_sub_L_sub_6_sub_sup_12_sup_Supramolecular_Organometallic_Cage/16601847

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00348.s001

المؤلفون: Giuseppe Sciortino, Gantulga Norjmaa, Jean Didier Maréchal, Gregori Ujaque

المصدر: Supramolecular Catalysis. :271-285

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::dd35adb03a6f98be0f992be258dff88c
https://doi.org/10.1002/9783527832033.ch19

المؤلفون: Andrés M. Álvarez-Constantino, Andrea Álvarez-Pérez, Jesús A. Varela, Giuseppe Sciortino, Gregori Ujaque, Carlos Saá

المساهمون: Universidade de Santiago de Compostela. Centro de Investigación en Química Biolóxica e Materiais Moleculares, Universidade de Santiago de Compostela. Departamento de Química Orgánica

مصطلحات موضوعية: Lactamizations, Ruthenium catalysts, Organic Chemistry, Benzazepinones, Medium-sized lactams, Alkynylamines

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbface56070441e49e08a8ac2feca697
https://hdl.handle.net/10347/30334

المؤلفون: Andrés M, Álvarez-Constantino, Andrea, Álvarez-Pérez, Jesús A, Varela, Giuseppe, Sciortino, Gregori, Ujaque, Carlos, Saá

المصدر: The Journal of organic chemistry.

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::c5a07f8b103d0ac60d1067e51c0cd415
https://pubmed.ncbi.nlm.nih.gov/36579612

المؤلفون: Agustí Lledós, Gregori Ujaque, Gantulga Norjmaa

المصدر: Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona

مصطلحات موضوعية: Physics::Biological Physics, Quantitative Biology::Biomolecules, Chemistry, Continuum (topology), Reaction mechanisms, Explicit solvent, Homogeneous catalysis, General Chemistry, DFT calculations, Solvent models, Catalysis, Condensed Matter::Soft Condensed Matter, Solvent, Continuum solvent models, Chemical physics, Yield (chemistry), Micro-solvation, Molecule, Physics::Chemical Physics, Solvent effects, Quantum, Solvent efects

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fad07430a8c5784b15f08c3c0ec23359
https://doi.org/10.1007/s11244-021-01520-2

المؤلفون: Gregori Ujaque, Pietro Vidossich, Jean-Didier Maréchal, Gantulga Norjmaa

المصدر: Journal of Chemical Information and Modeling

مصطلحات موضوعية: Work (thermodynamics), Materials science, General Chemical Engineering, Binding energy, Supramolecular chemistry, Thermodynamics, General Chemistry, Library and Information Sciences, Ligands, Force field (chemistry), Article, Computer Science Applications, Gibbs free energy, Physical Phenomena, symbols.namesake, Kinetics, Molecular recognition, symbols, Solvents, Molecule, Umbrella sampling

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71a778814ae4e20a05472d6ab2cee2b4
http://europepmc.org/articles/PMC8479806

المؤلفون: Gantulga Norjmaa, Fahmi Himo, Jean‐Didier Maréchal, Gregori Ujaque

المصدر: Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona

مصطلحات موضوعية: Nazarov cyclization, Supramolecular catalysis, Organic Chemistry, Density functional theory, Metallocage, General Chemistry, Molecular dynamics, Catalysis

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5be838a86e4f12e3e865fc381b0b72ae
https://doi.org/10.1002/chem.202201792

المؤلفون: Gantulga, Norjmaa, Fahmi, Himo, Jean-Didier, Maréchal, Gregori, Ujaque

المصدر: Chemistry (Weinheim an der Bergstrasse, Germany). 28(60)

مصطلحات موضوعية: Ethanol, Cyclization, Solvents, Water, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::9780b3c0c90f6fd512958a95b47c9f1a
https://pubmed.ncbi.nlm.nih.gov/35859038

المؤلفون: Pablo Gómez-Orellana, Gregori Ujaque, Agustí Lledós

المصدر: The Journal of Organic Chemistry. 86:4007-4017

مصطلحات موضوعية: Bromides, Reaction mechanism, Phosphines, Ligands, DFT calculations, 010402 general chemistry, 01 natural sciences, Catalysis, Ammonia, chemistry.chemical_compound, Chelation, Amination, Pd catalyst, 010405 organic chemistry, Chemistry, Ligand, Aryl, Organic Chemistry, Reaction Mechanism, Combinatorial chemistry, 0104 chemical sciences, C-N Coupling, Palladium, Phosphine

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ef39afc50bcfadf5f0723a9d4ff9b2d
https://doi.org/10.1021/acs.joc.0c02865

المؤلفون: Gregori Ujaque, Gantulga Norjmaa, Jean-Didier Maréchal

المصدر: Chemistry – A European Journal. 26:6988-6992

مصطلحات موضوعية: 010405 organic chemistry, Organic Chemistry, Supramolecular chemistry, General Chemistry, 010402 general chemistry, 01 natural sciences, Catalysis, Reductive elimination, 0104 chemical sciences, Gibbs free energy, Reaction rate, Solvent, chemistry.chemical_compound, Molecular dynamics, symbols.namesake, chemistry, symbols, Physical chemistry, Phosphine, Supramolecular catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::0cacde205d4035e3c95f78a8ce5788c5
https://doi.org/10.1002/chem.201905608

المؤلفون: Antoni Riera, Xavier Verdaguer, Sergi Rafael, Albert Cabré, Gregori Ujaque, Giuseppe Sciortino, Agustí Lledós

المصدر: Angewandte Chemie International Edition. 59:7521-7527

مصطلحات موضوعية: Asymmetric hydrogenation, Enantioselective synthesis, Regioselectivity, General Medicine, General Chemistry, Borane, Catalysis, chemistry.chemical_compound, chemistry, Organic chemistry, Organic synthesis, Lewis acids and bases, Isomerization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4d0e6c6c1bfafabd695cc1026a65f850
https://doi.org/10.1002/anie.201915772

المؤلفون: Pietro Vidossich, Sheila Ruiz-Botella, Eduardo Peris, Gregori Ujaque

المصدر: Dalton Transactions. 49:3181-3186

مصطلحات موضوعية: Chemistry, Poly-NHC metal complexes, Benzoimidazoles, Cavitand, chemistry.chemical_element, Molecule analysis, Vase-kite interconversion, Resorcinarene, Ring (chemistry), Rhodium, Inorganic Chemistry, Metal, Crystallography, chemistry.chemical_compound, visual_art, visual_art.visual_art_medium, Molecule, Tetrabenzoimidazolium-resorcinarene cavitand, Conformational isomerism, Carbene, Non-interconverting conformational isomers

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a38dcfc092299c8560f2d4b7ab4d0a4
https://doi.org/10.1039/d0dt00060d

المؤلفون: Gantulga, Norjmaa, Jean-Didier, Maréchal, Gregori, Ujaque

المصدر: Chemistry (Weinheim an der Bergstrasse, Germany). 27(64)

مصطلحات موضوعية: Physical Phenomena, Acceleration, Solvents, Gold

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::4b15bc90466706164d90edc38658bf8b
https://pubmed.ncbi.nlm.nih.gov/34545974

المؤلفون: Agustí Lledós, Odile Eisenstein, Gregori Ujaque

المساهمون: Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier (ICGM ICMMM), Ecole Nationale Supérieure de Chimie de Montpellier (ENSCM)-Centre National de la Recherche Scientifique (CNRS)-Université de Montpellier (UM)-Université Montpellier 1 (UM1)-Université Montpellier 2 - Sciences et Techniques (UM2)-Institut de Chimie du CNRS (INC), Universitat Autònoma de Barcelona (UAB), Agustí Lledós, Gregori Ujaque

المصدر: New Directions in the Modeling of Organometallic Reactions ISBN: 9783030569952
New Directions in the Modeling of Organometallic Reactions
Agustí Lledós; Gregori Ujaque. New Directions in the Modeling of Organometallic Reactions, Springer International Publishing, pp.1-38, 2020, 978-3-030-56995-2. ⟨10.1007/3418_2020_57⟩

مصطلحات موضوعية: Theoretical computer science, Interpretation (logic), 010405 organic chemistry, Computer science, media_common.quotation_subject, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Gibbs free energy, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Presentation, symbols.namesake, Perspective (geometry), Energy profile, symbols, Quality (business), Focus (optics), Representation (mathematics), media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2824c1d236ae6f3ee2003c0ed718a32a
https://doi.org/10.1007/3418_2020_57

المؤلفون: Gantulga Norjmaa, Gregori Ujaque, Jean-Didier Maréchal

المصدر: Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona

مصطلحات موضوعية: Chemistry, Organic Chemistry, Supramolecular chemistry, chemistry.chemical_element, General Chemistry, Catalysis, Reductive elimination, Gibbs free energy, Metal, symbols.namesake, visual_art, symbols, visual_art.visual_art_medium, Physical chemistry, Molecule, Density functional theory, Platinum, Supramolecular catalysis

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe0050d0cb2acc4d89e18e2a93ef3fbc
https://ddd.uab.cat/record/250650

المؤلفون: Mónica Viciano, Eduardo Peris, Mercedes Sanau, Gregori Ujaque, Andrea Rossin, Macarena Poyatos, Agustí Lledós

المصدر: Recercat. Dipósit de la Recerca de Catalunya
instname
Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona
Recercat: Dipósit de la Recerca de Catalunya
Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya)

مصطلحات موضوعية: Inorganic Chemistry, chemistry.chemical_compound, chemistry, Organic Chemistry, Polymer chemistry, chemistry.chemical_element, Organic chemistry, Iridium, Physical and Theoretical Chemistry, Carbene, Oxidative addition, PREI2008, Rhodium

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e24e93641eaa04f9a2d677831f6d3ce2
http://hdl.handle.net/2072/392441

المؤلفون: Gregori Ujaque, Almudena Couce-Rios, Agustí Lledós, Israel Fernández

المصدر: ACS Catalysis. 9:848-858

مصطلحات موضوعية: Reaction mechanism, Olefin fiber, Valence (chemistry), Anti-Markovnikov, 010405 organic chemistry, Chemistry, Markovnikov's rule, Regioselectivity, General Chemistry, DFT calculations, 010402 general chemistry, 01 natural sciences, Hydroamination, Catalysis, 0104 chemical sciences, ASM-EDA(NOCV) analysis, Computational chemistry, Density functional theory, Gold

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cb0e65f85a5c656b70c643c6a3167e3
https://doi.org/10.1021/acscatal.8b03843

المؤلفون: Galí Drudis-Solé, Gregori Ujaque, Feliu Maseras, Agustí Lledós

وصف الملف: application/pdf; image/vnd.djvu

Relation: CRCHIM_2004__7_8-9_885_0; https://comptes-rendus.academie-sciences.fr/chimie/articles/10.1016/j.crci.2004.02.017/; oai:centre-mersenne.org:CRCHIM_2004__7_8-9_885_0; citation: Comptes Rendus. Chimie, 7, no. 8-9 (2004) p 885-893

الاتاحة: https://comptes-rendus.academie-sciences.fr/chimie/articles/10.1016/j.crci.2004.02.017/