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: Xuban Gastearena, Jesus M. Ugalde, German E. Pieslinger, Eider San Sebastian, Elisa Jimenez-Izal

المصدر: Communications Physics, Vol 7, Iss 1, Pp 1-6 (2024)

مصطلحات موضوعية: Astrophysics, QB460-466, Physics, QC1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2399-3650

URL الوصول: https://doaj.org/article/6144390ececc40b38513fcd2704900b6

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: Xabier Telleria‐Allika, Jesus M. Ugalde, Eduard Matito, Eloy Ramos‐Cordoba, Mauricio Rodríguez‐Mayorga, Xabier Lopez

مصطلحات موضوعية: Yukawa screening potential, Hooke atoms, optimized Gaussian basis functions, Physical and Theoretical Chemistry, electron correlation, Condensed Matter Physics, Atomic and Molecular Physics, and Optics

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9d8b43b6fd9b805c221129d445f0967d
http://hdl.handle.net/10810/59835

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: 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: Elisa Jimenez-Izal, Jon M. Matxain, Mario Piris, Jesus M. Ugalde

المصدر: Computation, Vol 1, Iss 3, Pp 31-45 (2013)

مصطلحات موضوعية: nanocluster, endohedral doping, magnetism, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

Relation: http://www.mdpi.com/2079-3197/1/3/31; https://doaj.org/toc/2079-3197

URL الوصول: https://doaj.org/article/99eb44563e4d4cceb887cea0a1ab8abc

المؤلفون: Jose M. Paredes, Ana M. Ortuño, Sandra Resa, Delia Miguel, Giuseppe Mazzeo, Luis Álvarez de Cienfuegos, Juan M. Cuerva, Víctor Blanco, Sergio Abbate, Giovanna Longhi, Jesus M. Ugalde, Pablo Reiné, Vladimiro Mujica, Antonio J. Mota

المصدر: Digibug. Repositorio Institucional de la Universidad de Granada
Consorcio Madroño

مصطلحات موضوعية: 010405 organic chemistry, Chemistry, Organic Chemistry, Supramolecular chemistry, Foldamer, Conjugated system, Metallacycle, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Crystallography, chemistry.chemical_compound, Enantiopure drug, Phenylene, Molecule, Bifunctional

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d08d943f7a7a62712ab341d07c21119
https://doi.org/10.1039/d1qo00822f

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

المصدر: Addi. Archivo Digital para la Docencia y la Investigación
instname

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: Vladimiro Mujica, Aitzol García-Etxarri, Juan José Sáenz, Jesus M. Ugalde

المصدر: The Journal of Physical Chemistry C. 124:1560-1565

مصطلحات موضوعية: Materials science, Field (physics), Plane (geometry), Nanoparticle, Optically active, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, symbols.namesake, General Energy, Chemical physics, symbols, Molecule, Physical and Theoretical Chemistry, Raman spectroscopy, Chirality (chemistry), Circular polarization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5ef2c21d7178805f1011b7c9c2e7444d
https://doi.org/10.1021/acs.jpcc.9b07670

المؤلفون: David Casanova, Sławomir J. Grabowski, Elena Formoso, Jesus M. Ugalde

المصدر: ChemPhysChem. 20:2443-2450

مصطلحات موضوعية: chemistry.chemical_classification, Base (chemistry), Hydrogen bond, Atoms in molecules, chemistry.chemical_element, 02 engineering and technology, Conjugated system, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Sulfur, Oxygen, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, chemistry.chemical_compound, chemistry, Carborane, Physical chemistry, Superacid, Physical and Theoretical Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a02258c9023da70d46a7fc92c59b4c11
https://doi.org/10.1002/cphc.201900687

المؤلفون: Bryan M. Wong, Jesus M. Ugalde, Jon M. Matxain, Sarah I. Allec, Vladimiro Mujica, David Casanova

المصدر: ChemPhotoChem. 3:770-777

مصطلحات موضوعية: Materials science, Organic Chemistry, chemistry.chemical_element, Spin–orbit interaction, Electron, Sulfur, Analytical Chemistry, chemistry, Chemical physics, Excited state, Physical and Theoretical Chemistry, Spin (physics), Selectivity, Chirality (chemistry), Carbon

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::a28be554c12fd527b8b76e2451decf0b
https://doi.org/10.1002/cptc.201900128

المؤلفون: José I. Santos, Iván Rivilla, Vladimiro Mujica, Jon M. Matxain, Jesus M. Ugalde, F. Javier Garcia-Garcia, Fernando P. Cossío, Marek Grzeliczak, Shobeir K. S. Mazinani

المصدر: ACS Nano. 13:6133-6136

مصطلحات موضوعية: Materials science, Condensed matter physics, Cross polarization, General Engineering, Solid-state, General Physics and Astronomy, General Materials Science, Polarization (waves)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9e57adeaaf108a23e78aeb3d95d5c075
https://doi.org/10.1021/acsnano.9b00946

المؤلفون: Jesus M. Ugalde, Ewa N. Szlapa, Xabier Lopez

المصدر: International Journal of Mass Spectrometry

مصطلحات موضوعية: Chemistry, 010401 analytical chemistry, Hydrogen atom, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 7. Clean energy, Methane, 0104 chemical sciences, chemistry.chemical_compound, Coupled cluster, Radical ion, Potential energy surface, Cluster (physics), Physical chemistry, Density functional theory, Physics::Chemical Physics, Physical and Theoretical Chemistry, Proton-coupled electron transfer, Instrumentation, Spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::28c76d076a746189bcbba48d887922e0
https://doi.org/10.1016/j.ijms.2018.12.015

المؤلفون: Leonardo Medrano Sandonas, Rafael Gutierrez, Gianaurelio Cuniberti, Jesus M. Ugalde, Álvaro Rodríguez Méndez, Vladimiro Mujica

المصدر: The Journal of Physical Chemistry C. 123:9680-9687

مصطلحات موضوعية: Materials science, Phonon, 02 engineering and technology, Condensed Matter::Mesoscopic Systems and Quantum Hall Effect, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Nanomaterials, symbols.namesake, Molecular wire, General Energy, Chemical physics, Thermal, Electrode, Transmittance, symbols, Physical and Theoretical Chemistry, 0210 nano-technology, Nanoscopic scale, Debye

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b04e3fb170bc49b5909fc40841b63c87
https://doi.org/10.1021/acs.jpcc.8b11879

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