المؤلفون: Lucia-Tamudo, Jesús¹ (AUTHOR) jesus.lucia-tamudo@ur.de, López-Sánchez, Rubén² (AUTHOR), Nogueira, Juan J.¹ (AUTHOR), Díaz-Tendero, Sergio¹ (AUTHOR)

المصدر: Journal of Chemical Physics. 10/28/2024, Vol. 161 Issue 16, p1-12. 12p.

مصطلحات موضوعية: *MOLECULAR magnetic moments, *REDUCTION potential, *INTERMOLECULAR interactions, *MONOMERS, *FUNCTIONAL groups, *BENZENE derivatives

المؤلفون: Lucía Tamudo, Jesús, Díaz-Tendero Victoria, Sergio, Nogueira, Juan J.

المساهمون: UAM. Departamento de Química

مصطلحات موضوعية: Química

وصف الملف: application/pdf

Relation: Physical Chemistry Chemical Physics; https://doi.org/10.1039/D3CP00884C; Gobierno de España. PID2019-110091GB-I00; Gobierno de España. PID2020-117806GA-I00; Physical Chemistry Chemical Physics 25.20 (2023): 14857–14589; 1463-9076 (print); 1463-9084 (online); http://hdl.handle.net/10486/709978; 14857; 20; 14589; 25

الاتاحة: http://hdl.handle.net/10486/709978
https://doi.org/10.1039/d3cp00884c

المؤلفون: Lucía Tamudo, Jesús, Nogueira Pérez, Juan José, Díaz-Tendero Victoria, Sergio

المساهمون: UAM. Departamento de Química

مصطلحات موضوعية: Charge Transfer, Gold Metallurgy, Molecular Dynamics, Molecules, Positive Ions, Quantum Theory, Redox Reactions, Química

وصف الملف: application/pdf

Relation: Langmuir; https://doi.org/10.1021/acs.langmuir.4c01512; Gobierno de España. PID2022-138470NB-I00; Gobierno de España. PID2020-117806GA-I00; Gobierno de España. CNS2022-135720; Langmuir 40.29 (2024): 15129–15139; http://hdl.handle.net/10486/714042; 15129; 29; 15139; 40

الاتاحة: http://hdl.handle.net/10486/714042
https://doi.org/10.1021/acs.langmuir.4c01512

المؤلفون: Lucía Tamudo, Jesús, Díaz-Tendero Victoria, Sergio, Nogueira Pérez, Juan José

المساهمون: UAM. Departamento de Química

مصطلحات موضوعية: DNA, Electrons, Molecular Dynamics Simulation, Nucleic Acid Conformation, Oxidation Reduction, Química

وصف الملف: application/pdf

Relation: Journal of Chemical Information and Modeling (JCIM); https://doi.org/10.1021/acs.jcim.4c00528; Gobierno de España. PID2022-138470NB-I00; Gobierno de España. PID2020-117806GA-I00; http://hdl.handle.net/10486/713291; 8402; 12; 8410; 64

الاتاحة: http://hdl.handle.net/10486/713291
https://doi.org/10.1021/acs.jcim.4c00528

المؤلفون: Lucía Tamudo, Jesús, Alcamí Pertejo, Manuel, Díaz-Tendero Victoria, Sergio, Nogueira Pérez, Juan José

المساهمون: UAM. Departamento de Química

مصطلحات موضوعية: Charge Transfer, Molecular Dynamics, Molecular Modeling, Oxidation, Quantum Theory, Química

وصف الملف: application/pdf

Relation: Biochemistry; https://doi.org/10.1021/acs.biochem.3c00324; Gobierno de España. PID2019-110091GB-I00; Gobierno de España. PID2020-117806GA-I00; Gobierno de España. PID2022‐138470NB‐100; Gobierno de España. CNS2022-135720; Gobierno de España. CEX2018-000805-M; Biochemistry 62.22 (2023): 3312-3322; 0006-2960 (print); 1520-4995 (online); http://hdl.handle.net/10486/709399; 3312; 22; 3322; 62

الاتاحة: http://hdl.handle.net/10486/709399
https://doi.org/10.1021/acs.biochem.3c00324

المؤلفون: Lucía Tamudo, Jesús, Nogueira, Juan J., Díaz-Tendero Victoria, Sergio

المساهمون: UAM. Departamento de Química

مصطلحات موضوعية: Química

وصف الملف: application/pdf

Relation: Journal of Physical Chemistry B; https://doi.org/10.1021/acs.jpcb.2c07225; Gobierno de España. MCIN/AEI/10.13039/ 501100011033; The Journal of Physical Chemistry B 127.7 (2023): 1513–1525; 1520-6106 (print); 1520-5207 (online); http://hdl.handle.net/10486/706593; 1513; 1525; 127

الاتاحة: http://hdl.handle.net/10486/706593
https://doi.org/10.1021/acs.jpcb.2c07225

المؤلفون: Cárdenas, Gustavo, Lucia Tamudo, Jesús, Mateo de la Fuente, Henar, Palmisano, Vito F., Anguita Ortiz, Nuria, Ruano, Lorena, Pérez Barcia, Alvaro, Díaz-Tendero Victoria, Sergio, Mandado, Marcos, Nogueira Pérez, Juan José

المساهمون: UAM. Departamento de Química

مصطلحات موضوعية: Active Space, Electrostatic Embedding, Energy Decomposition Analysis, Molecular Dynamics, Open-source QM/MM software, Photochemistry, Reduction Potentials, Química

وصف الملف: application/pdf

Relation: Journal of Computational Chemistry; https://doi.org/10.1002/jcc.27018; Gobierno de España. PID2020-117806GA-I00; http://hdl.handle.net/10486/705772; 18

الاتاحة: http://hdl.handle.net/10486/705772
https://doi.org/10.1002/jcc.27018

المؤلفون: Lucia-Tamudo, Jesús, Cárdenas, Gustavo, Anguita-Ortiz, Nuria, Díaz-Tendero, Sergio, Nogueira, Juan J.

المساهمون: Comunidad de Madrid, Ministerio de Ciencia e Innovaci??n, Ministerio de Educaci??n y Formaci??n Profesional, European Commission

المصدر: Journal of Chemical Information and Modeling ; volume 62, issue 14, page 3365-3380 ; ISSN 1549-9596 1549-960X

الاتاحة: http://dx.doi.org/10.1021/acs.jcim.2c00234
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00234

المؤلفون: Lucia-Tamudo, Jesús, Nogueira, Juan J., Díaz-Tendero, Sergio

المصدر: Langmuir; 7/23/2024, Vol. 40 Issue 29, p15129-15139, 11p

المؤلفون: Lucia-Tamudo, Jesús, Díaz-Tendero, Sergio, Nogueira, Juan J.

المصدر: Journal of Chemical Information & Modeling; 6/24/2024, Vol. 64 Issue 12, p4802-4810, 9p

المؤلفون: Lucía Tamudo, Jesús

المساهمون: Nogueira Pérez, Juan José, Díaz-Tendero Victoria, Sergio, UAM. Departamento de Química

مصطلحات موضوعية: Química

وصف الملف: application/pdf

Relation: http://hdl.handle.net/10486/712797

الاتاحة: http://hdl.handle.net/10486/712797

المؤلفون: Lucia-Tamudo, Jesús, Alcamí, Manuel, Díaz-Tendero, Sergio, Nogueira, Juan José

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-csvcp
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/648f2047e64f843f41f87267/original/one-electron-oxidation-potentials-and-hole-delocalization-in-heterogeneous-single-stranded-dna.pdf

المؤلفون: Lucia-Tamudo, Jesús, Díaz-Tendero, Sergio, Nogueira, Juan Jose

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-l1n1p
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/63f7976932cd591f125ff401/original/intramolecular-and-intermolecular-hole-delocalization-rules-the-reducer-character-of-isolated-nucleobases-and-homogeneous-single-stranded-dna.pdf

المؤلفون: Lucia-Tamudo, Jesús, Nogueira, Juan Jose, Díaz-Tendero, Sergio

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-jmslr
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/6555d7042c3c11ed717fd2b0/original/charge-transfer-mechanism-in-guanine-based-self-assembled-monolayers-on-a-gold-surface.pdf

المؤلفون: Cárdenas, Gustavo, Lucia-Tamudo, Jesús, Mateo-delaFuente, Henar, Palmisano, Vito F., Anguita-Ortiz, Nuria, Ruano, Lorena, Pérez-Barcia, Álvaro, Díaz-Tendero, Sergio, Mandado, Marcos, Nogueira, Juan Jose

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2022-cncp2
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/627a576f7087673ae24d6f44/original/mo-bio-tools-a-toolkit-to-setup-qm-mm-calculations.pdf

المؤلفون: Lucia-Tamudo, Jesús, Nogueira, Juan Jose, Díaz-Tendero, Sergio

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2022-d8w78
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/632c1d84f764e6c2e4fec810/original/an-efficient-multilayer-approach-to-model-dna-based-nano-biosensors.pdf

المؤلفون: Cárdenas, Gustavo, Lucia‐Tamudo, Jesús, Mateo‐delaFuente, Henar, Palmisano, Vito F., Anguita‐Ortiz, Nuria, Ruano, Lorena, Pérez‐Barcia, Álvaro, Díaz‐Tendero, Sergio, Mandado, Marcos, Nogueira, Juan J.

المصدر: Journal of Computational Chemistry; 2/5/2023, Vol. 44 Issue 4, p516-533, 18p

مصطلحات موضوعية: QUANTUM mechanics, MOLECULAR shapes, VOLTAGE-gated ion channels, ION channels, AZOBENZENE derivatives, EXCITED states

المؤلفون: Prieto, Luis Alberto, Khiar-Fernandez, Nora, Calderón-Montaño, José Manuel, López-Lázaro, Miguel, Lucía-Tamudo, Jesús, Nogueira, Juan J., León, Rafael, Moreno-Rodríguez, Nazaret, Valdivia, Victoria, Recio, Rocío, Fernández, Inmaculada

الاتاحة: https://doi.org/10.2139/ssrn.5041492

المؤلفون: Lucia-Tamudo, Jesús, Nogueira, Juan J., Díaz-Tendero, Sergio

المصدر: The Journal of Physical Chemistry - Part B; 20230101, Issue: Preprints