المؤلفون: Leire Villaescusa (14381000), Iker Hernández (14381003), Laura Azcune (14381006), Ainhoa Rudi (14381009), José M. Mercero (14381012), Aitor Landa (2130454), Mikel Oiarbide (1699942), Claudio Palomo (1699948)

مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Ecology, substituted vinylic sulfones, effective michael acceptors, commonly employed β, ii , thus overcoming, stereoselectivity trends, rigidified bis, quaternary hydantoins, observed reactivity, hydantoin surrogates, eventual bioassays, enantioselective synthesis, disubstituted hydantoins, diastereoselective addition, asymmetric catalysis, also provided

Relation: https://figshare.com/articles/journal_contribution/Rigidified_Bis_sulfonyl_ethylenes_as_Effective_Michael_Acceptors_for_Asymmetric_Catalysis_Application_to_the_Enantioselective_Synthesis_of_Quaternary_Hydantoins/21867125

الاتاحة: https://doi.org/10.1021/acs.joc.2c02403.s001

المؤلفون: Xabier Telleria-Allika, Jose M. Mercero, Xabier Lopez, Jon M. Matxain

المصدر: AIP Advances, Vol 12, Iss 7, Pp 075206-075206-10 (2022)

مصطلحات موضوعية: Physics, QC1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2158-3226

URL الوصول: https://doaj.org/article/77f74d642bfe429cb3a8ebb831e629a0

المؤلفون: Jose M. Mercero (1789773), Jesus M. Ugalde (1788949)

مصطلحات موضوعية: Biophysics, Biochemistry, Molecular Biology, Ecology, Cancer, Hematology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Boron Pentamer Clusters, intra-annular chemical, Giambiagi ring-current index, σ- type valence, C 2 symmetry, energy triplet spin-state isomer, boron pentamer cluster, nonspherical confinement potentials, quintet spin-state isomers, interaction, level multiconfigurational type cal., electron correlation effects, delocalized valence orbitals, atom-pair delocalization indices, C 2 v symmetry

Relation: https://figshare.com/articles/journal_contribution/Electronic_Structure_and_Electron_Delocalization_in_Bare_and_Dressed_Boron_Pentamer_Clusters/14770923

الاتاحة: https://doi.org/10.1021/acs.jpca.1c02305.s001

المؤلفون: Jose M. Mercero, Rafael Grande-Aztatzi, Jesus M. Ugalde, Mario Piris

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e0561237f526e5e264ac6d1793395e51
https://doi.org/10.1016/bs.aiq.2023.02.006

المؤلفون: Indrani Baruah, Prasad V. Bharatam, Alexander I. Boldyrev, Ritam Raj Borah, Debdutta Chakraborty, Pratim Kumar Chattaraj, Zhong-Hua Cui, Prasenjit Das, Subhra Das, Gurudutt Dubey, Manas Ghara, Swapan K. Ghosh, Sourav Ghoshal, Santanab Giri, K. Gopalsamy, Saniya Gratious, Ankur K. Guha, Chunna Guo, Xin He, Gourhari Jana, M. Janani, Ruchi Jha, Dandan Jiang, Amlan J. Kalita, Chayanika Kashyap, Katsuaki Konishi, Abhishek Kumar, Hai-Xia Li, Meng Li, Shubin Liu, K.R. Maiyelvaganan, Sukhendu Mandal, Lakhya J. Mazumder, Jose M. Mercero, Neeraj Misra, M. Molayem, Sukanta Mondal, Sayani Mukherjee, Alvaro Muñoz-Castro, Minh Tho Nguyen, Pham Vu Nhat, Edison Osorio, Ranita Pal, Sudip Pan, Debolina Paul, Arpita Poddar, M. Prakash, Anup Pramanik, M.K. Ravva, Shahnaz S. Rohman, Chunying Rong, Debesh R. Roy, Ranajit Saha, Pranab Sarkar, Utpal Sarkar, Kangkan Sarmah, Esha V. Shah, Yukatsu Shichibu, Nguyen Thanh Si, Swapan Sinha, M. Springborg, Ambrish Kumar Srivastava, V. Subramanian, Zhong-Ming Sun, Gargi Tiwari, Nikolay V. Tkachenko, Jesus M. Ugalde, Farnaz Yashmin, Dongbo Zhao, Lili Zhao

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::d14d18afe7d064b4002bf4e8eb9e2c0c
https://doi.org/10.1016/b978-0-12-822943-9.09992-7

المؤلفون: Jose M. Mercero, Jesus M. Ugalde

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::60a388a1cd100825db98eded3f32ecbf
https://doi.org/10.1016/b978-0-12-822943-9.00013-9

المؤلفون: Xabier Telleria‐Allika, Jose M. Mercero, Jesus M. Ugalde, Xabier Lopez, Jon M. Matxain

المصدر: International Journal of Quantum Chemistry. 123

مصطلحات موضوعية: Yukawa screening, Physical and Theoretical Chemistry, Gaussian potential, Condensed Matter Physics, Pade approximants, Hooke atom, Atomic and Molecular Physics, and Optics

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12fe95af5014bbb35a2b8e275951b4d1
https://doi.org/10.1002/qua.27043

المؤلفون: Kristien Peeters, Jose M. Mercero, Elisa Jimenez-Izal, Abel de Cózar, Ewald Janssens, Andoni Ugartemendia, Piero Ferrari

المصدر: ChemPhysChem. 22:1603-1610

مصطلحات موضوعية: Materials science, Doping, chemistry.chemical_element, Germanium, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Atomic and Molecular Physics, and Optics, Nanomaterial-based catalyst, Dissociation (chemistry), 0104 chemical sciences, Catalysis, chemistry, Chemical engineering, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology, Platinum, Selectivity

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fa6e7b8162bbf86f15fd204ea6ff3735
https://doi.org/10.1002/cphc.202100407

المؤلفون: Jose M. Mercero, Jesus M. Ugalde

المصدر: The Journal of Physical Chemistry A. 125:5246-5255

مصطلحات موضوعية: Valence (chemistry), 010304 chemical physics, Electronic correlation, Pentamer, Chemistry, Jellium, Electronic structure, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Delocalized electron, Chemical bond, Chemical physics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Physical and Theoretical Chemistry, Valence electron

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f8cfa4fd16624c960d45c3f680115118
https://doi.org/10.1021/acs.jpca.1c02305

المؤلفون: Andoni Ugartemendia, Jose M. Mercero, Abel de Cózar, Elisa Jimenez-Izal

المصدر: The Journal of chemical physics. 156(20)

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2c1d7ca3696e9ac3fa3a4f1e0a11aea
https://pubmed.ncbi.nlm.nih.gov/35525659

المؤلفون: Jose M. Mercero, Elisa Jimenez-Izal, Andoni Ugartemendia Biurrun, Abel De Cózar

المصدر: The Journal of chemical physics. 156(17)

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46733ca71848f7fe2fc078622cb0dd71
https://pubmed.ncbi.nlm.nih.gov/35649826

المؤلفون: Jose M. Mercero, Elixabete Rezabal, Jesus M. Ugalde, Thomas Weiske, Jilai Li

المصدر: Addi. Archivo Digital para la Docencia y la Investigación
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مصطلحات موضوعية: gas-phase reactions, Mars-van Krevelen mechanism, catalysis, oxygen-atom exchange, quantum chemical calculations, Physical and Theoretical Chemistry, Atomic and Molecular Physics, and Optics

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a06c5edf54235dad0b2881eba8db3a0
https://doi.org/10.1002/cphc.202100773

المؤلفون: Jose M, Mercero, Elixabete, Rezabal, Jesus M, Ugalde, Thomas, Weiske, Jilai, Li

المصدر: Chemphyschem : a European journal of chemical physics and physical chemistry. 23(5)

مصطلحات موضوعية: Oxygen, Catalysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::12bc796f51b3e0ec727215495683c457
https://pubmed.ncbi.nlm.nih.gov/34942051

المؤلفون: Peter Dinér, June Izquierdo, Aitor Landa, Jose M. Mercero, Noémie Demurget, Claudio Palomo, Mikel Oiarbide, Tore Brinck

المصدر: Chemistry – A European Journal. 25:12431-12438

مصطلحات موضوعية: 010405 organic chemistry, Chemistry, organic chemicals, Organic Chemistry, Squaramide, Enantioselective synthesis, Hydantoin, General Chemistry, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, Catalysis, 0104 chemical sciences, Stereocenter, chemistry.chemical_compound, Aldol reaction, Pyridine, Amine gas treating, Bifunctional

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::54ec3e3b501f43a51dc19dbb6e447448
https://doi.org/10.1002/chem.201902817

المؤلفون: Jon I Mujika, Elixabete Rezabal, Jose M Mercero, Fernando Ruipérez, Dominique Costa, Jesus M Ugalde, Xabier Lopez

المصدر: Computational and Structural Biotechnology Journal, Vol 9, Iss 15 (2014)

مصطلحات موضوعية: Biotechnology, TP248.13-248.65

وصف الملف: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S2001037014600027; https://doaj.org/toc/2001-0370

URL الوصول: https://doaj.org/article/7b1dab953f0b4f9f9db8a80fe7fa1323

المؤلفون: Mario Piris, Jose M. Mercero, Jesus M. Ugalde

المصدر: Theoretical Chemistry Accounts. 140

مصطلحات موضوعية: Physics, 010304 chemical physics, Electronic correlation, Møller–Plesset perturbation theory, chemistry.chemical_element, Order (ring theory), Thermodynamics, 010402 general chemistry, 01 natural sciences, Potential energy, Transition state, 0104 chemical sciences, chemistry, 0103 physical sciences, Elementary reaction, Scandium, Physical and Theoretical Chemistry, Perturbation theory

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ae565637056321942db10851701f7bb5
https://doi.org/10.1007/s00214-021-02775-4

المؤلفون: Mauricio Rodríguez-Mayorga, Xabier Lopez, Jose M. Mercero, Eduard Matito, Jesus M. Ugalde

المساهمون: Ministerio de Economía y Competitividad (Espanya)

المصدر: © Canadian Journal of Chemistry, 2016, vol. 94, núm. 12, p. 998-1001
Articles publicats (D-Q)
DUGiDocs – Universitat de Girona
instname

مصطلحات موضوعية: Electron pair, 010304 chemical physics, Chemistry, Organic Chemistry, Hydrogen molecule, Química de l'estat excitat, General Chemistry, Function (mathematics), Electron, 010402 general chemistry, 01 natural sciences, Catalysis, 0104 chemical sciences, Electrons -- Distribució, Density distribution, Excited state chemistry, Excited state, Physics - Chemical Physics, 0103 physical sciences, Electron distribution, Physics::Atomic and Molecular Clusters, Physics::Atomic Physics, Atomic physics

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f069d9202c2595181f1a22f52f96943e
https://hdl.handle.net/2072/372224

المؤلفون: Rafael, Grande-Aztatzi, Jose M, Mercero, Jesus M, Ugalde

المصدر: Physical chemistry chemical physics : PCCP. 20(17)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::71704179ee327cbcf6e935f01e13384e
https://pubmed.ncbi.nlm.nih.gov/26911902

المؤلفون: Rafael Grande-Aztatzi, Jose M. Mercero, Jesus M. Ugalde

المصدر: Physical Chemistry Chemical Physics. 18:11879-11884

مصطلحات موضوعية: Field (physics), 010405 organic chemistry, Chemistry, General Physics and Astronomy, Aromaticity, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Crystallography, Planar, Molecular geometry, Ab initio quantum chemistry methods, Computational chemistry, Physical and Theoretical Chemistry, Perturbation theory, Open shell, Basis set

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a938e0237b079dc5d07e848995cbd791
https://doi.org/10.1039/c5cp07263h

المؤلفون: Jesus M. Ugalde, Xabier Lopez, Ivan Infante, Eduard Matito, Fernando Ruipérez, Jose M. Mercero

المساهمون: Theoretical Chemistry, AIMMS

المصدر: Mercero, J M, Matito, E, Ruipérez, F, Infante, I, Lopez, X, Ugalde, J M, Lopez, X & Ugalde, J M 2015, ' The Electronic Structure of the Al3− Anion: Is it Aromatic? ', Chemistry: A European Journal, vol. 21, pp. n/a-n/a . https://doi.org/10.1002/chem.201501350
Chemistry: A European Journal, 21, n/a-n/a. Wiley-VCH Verlag

مصطلحات موضوعية: Chemistry, Organic Chemistry, Aromaticity, General Chemistry, Electronic structure, State (functional analysis), Catalysis, Electronic states, Ion, Crystallography, Computational chemistry, Cluster (physics), Singlet state, Spin (physics)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e30780df0faeb1c4e1d0baafb6121c94
https://doi.org/10.1002/chem.201501350