المؤلفون: García, Alberto, Papior, Nick, Akhtar, Arsalan, Artacho, Emilio, Blum, Volker, Bosoni, Emanuele, Brandimarte, Pedro, Brandbyge, Mads, Cerdá, J. I., Corsetti, Fabiano, Cuadrado, Ramón, Dikan, Vladimir, Ferrer, Jaime, Gale, Julian, García-Fernández, Pablo, García-Suárez, V. M., García, Sandra, Huhs, Georg, Illera, Sergio, Korytár, Richard, Koval, Peter, Lebedeva, Irina, Lin, Lin, López-Tarifa, Pablo, Mayo, Sara G., Mohr, Stephan, Ordejón, Pablo, Postnikov, Andrei, Pouillon, Yann, Pruneda, Miguel, Robles, Roberto, Sánchez-Portal, Daniel, Soler, Jose M., Ullah, Rafi, Yu, Victor Wen-zhe, Junquera, Javier

المصدر: J. Chem. Phys. 152, 204108 (2020)

مصطلحات موضوعية: Physics - Computational Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2006.01270

المؤلفون: Oliveira, Micael J. T., Papior, Nick, Pouillon, Yann, Blum, Volker, Artacho, Emilio, Caliste, Damien, Corsetti, Fabiano, de Gironcoli, Stefano, Elena, Alin M., Garcia, Alberto, Garcia-Suarez, Victor M., Genovese, Luigi, Huhn, William P., Huhs, Georg, Kokott, Sebastian, Kucukbenli, Emine, Larsen, Ask H., Lazzaro, Alfio, Lebedeva, Irina V., Li, Yingzhou, Lopez-Duran, David, Lopez-Tarifa, Pablo, Luders, Martin, Marques, Miguel A. L., Minar, Jan, Mohr, Stephan, Mostofi, Arash A., O'Cais, Alan, Payne, Mike C., Ruh, Thomas, Smith, Daniel G. A., Soler, Jose M., Strubbe, David A., Tancogne-Dejean, Nicolas, Tildesley, Dominic, Torrent, Marc, Yu, Victor Wen-zhe

مصطلحات موضوعية: Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2005.05756

المؤلفون: Oliveira, Micael JT, Papior, Nick, Pouillon, Yann, Blum, Volker, Artacho, Emilio, Caliste, Damien, Corsetti, Fabiano, de Gironcoli, Stefano, Elena, Alin M, García, Alberto, García-Suárez, Víctor M, Genovese, Luigi, Huhn, William P, Huhs, Georg, Kokott, Sebastian, Küçükbenli, Emine, Larsen, Ask H, Lazzaro, Alfio, Lebedeva, Irina V, Li, Yingzhou, López-Durán, David, López-Tarifa, Pablo, Lüders, Martin, Marques, Miguel AL, Minar, Jan, Mohr, Stephan, Mostofi, Arash A, O’Cais, Alan, Payne, Mike C, Ruh, Thomas, Smith, Daniel GA, Soler, José M, Strubbe, David A, Tancogne-Dejean, Nicolas, Tildesley, Dominic, Torrent, Marc, Yu, Victor Wen-zhe

المصدر: The Journal of Chemical Physics. 153(2)

مصطلحات موضوعية: Networking and Information Technology R&D (NITRD), cond-mat.mtrl-sci, physics.comp-ph, Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7m5193tm

المؤلفون: López Tarifa, Pablo

Thesis Advisors: Alcamí Pertejo, Manuel (dir.), Gaigeot, Marie-Pierre (dir.), Université Evry Val d'Éssonne., Universidad Autónoma de Madrid. Departamento de Química

المصدر: 978-84-694-7597-3 (ISBN de méritos)

مصطلحات موضوعية: Biología molecular - Tesis doctorales, Iones - Movimiento - Tesis doctorales, Dinámica molecular - Tesis doctorales

URL الوصول: http://hdl.handle.net/10486/6364

المؤلفون: López-Tarifa P., Piekarski D.G., Rossich E., Du Penhoat M.-A.H., Vuilleumier R., Gaigeot M.-P., Tavernelli I., Politis M.-F., Wang Y., Díaz-Tendero S., Martín, Fernando, Alcamí M.

وصف الملف: application/pdf

Relation: http://hdl.handle.net/20.500.12614/2303

الاتاحة: https://hdl.handle.net/20.500.12614/2303
https://doi.org/10.1088/1742-6596/488/1/012037

المؤلفون: López-Tarifa P., Hervé du Penhoat M.-A., Vuilleumier R., Gaigeot M.-P., Rothlisberger U., Tavernelli I., Le Padellec A., Champeaux J.-P., Alcamí M., Moretto-Capelle P., Martín, Fernando, Politis M.-F.

Relation: This paper was intended for the special issue associated to the annual meeting of the COST Action CM0702 held in Cluj-Napoca, Romania between 21-23 March 2012. This work was performed using HPC resources from Mare Nostrum BSC, CCC-UAM, CCR UPMC and GENCI - CINES/IDRIS grant 2010-085014. We thank the support of the MICINN projects FIS2010-15127, CTQ2010-17006, ACI2008-0777, and CSD 2007-00010, the CAM project S2009/MAT1726, the COST Action CM0702, the Picasso project HF2007-0067, and HPC Europa2. P. López-Tarifa, I. Tavernelli and U. Röthlisberger also acknowledge the Swiss NSF through the NCCR MUST interdisciplinary research program. P. López-Tarifa also thanks the FP7 Marie Curie COFUND Action.; http://hdl.handle.net/20.500.12614/2319

الاتاحة: https://hdl.handle.net/20.500.12614/2319
https://doi.org/10.2478/s11534-014-0428-0

المؤلفون: López-Tarifa P., Hervé Du Penhoat M.-A., Vuilleumier R., Gaigeot M.-P., Tavernelli I., Le Padellec A., Champeaux J.-P., Alcamí M., Moretto-Capelle P., Martín, Fernando, Politis M.-F.

Relation: info:eu-repo/grantAgreement/EC/FP7/268284/EU/Femto- and attosecond imaging of molecular multiple ionization: Time-resolved electron and nuclear dynamics using free electron lasers and ultra-short pulses/ATTOTREND; info:eu-repo/grantAgreement/EC/FP7/228398/EU/Pan-European Research infrastructure on High Performance Computing for 21st century Science/HPC-EUROPA2; http://hdl.handle.net/20.500.12614/910

الاتاحة: https://hdl.handle.net/20.500.12614/910
https://doi.org/10.1103/PhysRevLett.107.023202

المؤلفون: Lopez-Tarifa, P., Liguori, Nicoletta, van den Heuvel, Naudin, Croce, Roberta, Visscher, Lucas

المصدر: Lopez-Tarifa , P , Liguori , N , van den Heuvel , N , Croce , R & Visscher , L 2017 , ' Coulomb couplings in solubilised light harvesting complex II (LHCII): challenging the ideal dipole approximation from TDDFT calculations ' , Physical Chemistry Chemical Physics - PCCP , vol. 19 , no. 28 , pp. 18311-18320 . https://doi.org/10.1039/c7cp03284f

مصطلحات موضوعية: /dk/atira/pure/sustainabledevelopmentgoals/affordable_and_clean_energy, name=SDG 7 - Affordable and Clean Energy

وصف الملف: application/pdf

الاتاحة: https://research.vu.nl/en/publications/493ac4ea-dc53-4a4c-933c-df02620d9824
https://doi.org/10.1039/c7cp03284f
https://hdl.handle.net/1871.1/493ac4ea-dc53-4a4c-933c-df02620d9824
https://research.vu.nl/ws/files/278767860/Cortical_morphology_as_a_shared_neurobiological_substrate_of_attention-deficit_hyperactivity_symptoms_and_executive_functioning.pdf
http://www.scopus.com/inward/record.url?scp=85025164530&partnerID=8YFLogxK
http://www.scopus.com/inward/citedby.url?scp=85025164530&partnerID=8YFLogxK

المؤلفون: López-Tarifa, P, Penhoat, M-A Hervé du, Vuilleumier, R, Gaigeot, M-P, Tavernelli, I, Padellec, A Le, Champeaux, J-P, Alcamí, M, Moretto-Capelle, P, Martín, F, Politis, M-F

المصدر: Journal of Physics: Conference Series ; volume 388, issue 10, page 102055 ; ISSN 1742-6588 1742-6596

الاتاحة: http://dx.doi.org/10.1088/1742-6596/388/10/102055
http://stacks.iop.org/1742-6596/388/i=10/a=102055/pdf

المؤلفون: Legendre, S, Maisonny, R, Capron, M, Bernigaud, V, Cassimi, A, Gervais, B, Grandin, J-P, Huber, B A, Manil, B, Rousseau, P, Tarisien, M, López-Tarifa, P, Politis, M-F, Penhoat, M A Hervé du, Vuilleumier, R, Gaigeot, M-P, Tavernelli, I, Alcamí, M, Martín, F, Adoui, L

المصدر: Journal of Physics: Conference Series ; volume 194, issue 10, page 102032 ; ISSN 1742-6596

الاتاحة: http://dx.doi.org/10.1088/1742-6596/194/10/102032
http://stacks.iop.org/1742-6596/194/i=10/a=102032/pdf

المؤلفون: Oliveira MJT, Papior N, Pouillon Y, Blum V, Artacho E, Caliste D, Corsetti F, de Gironcoli S, Elena AM, García A, García-Suárez VM, Genovese L, Huhn WP, Huhs G, Kokott S, Küçükbenli E, Larsen AH, Lazzaro A, Lebedeva IV, Li Y, López-Durán D, López-Tarifa P, Lüders M, Marques MAL, Minar J, Mohr S, Mostofi AA, O’Cais A, Payne MC, Ruh T, Smith DGA, Soler JM, Strubbe DA, Tancogne-Dejean N, Tildesley D, Torrent M, Yu VW

Relation: urn:ISSN:0021-9606; J Chem Phys; http://purl.org/net/epubs/series/1290; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/46752656

الاتاحة: http://purl.org/net/epubs/work/46752656

المؤلفون: Fujii, K, Izumi, Y, Narita, A, Ghose, KK, Lopez-Tarifa, P, Touati, A, Spezia, R, Vuilleumier, R, Gaigeot, MP, Politis, MF, Du Penhoate, MAH, Yokoya, A

المصدر: http://infoscience.epfl.ch/record/259871.

Relation: isi:000427023800005; http://infoscience.epfl.ch/record/259871

الاتاحة: https://doi.org/10.1667/RR14225.1
http://infoscience.epfl.ch/record/259871

المؤلفون: Lushchikova, Olga V., Huitema, Douwe M. M., López-Tarifa, Pablo, Visscher, Lucas, Jamshidi, Zahra, Bakker, Joost M.

المصدر: Journal of Physical Chemistry Letters; 5/2/2019, Vol. 10 Issue 9, p2151-2155, 5p

المؤلفون: Hervé Du Penhoat, M. A., López-Tarifa, P., K. Ghose, K., Jeanvoine, Y., P. Gaigeot, M., Vuilleumier, R., Politis, Marie-Françoise, Bacchus-Montabonel, Marie-Christine

المساهمون: Institut de minéralogie, de physique des matériaux et de cosmochimie (IMPMC), Muséum national d'Histoire naturelle (MNHN)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de recherche pour le développement IRD : UR206-Centre National de la Recherche Scientifique (CNRS), Ecole Polytechnique Fédérale de Lausanne (EPFL), Laboratoire Analyse et Modélisation pour la Biologie et l'Environnement (LAMBE), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine-Université d'Évry-Val-d'Essonne (UEVE)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut universitaire de France (IUF), Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.), Processus d'Activation Sélective par Transfert d'Energie Uni-électronique ou Radiatif (UMR 8640) (PASTEUR), Université Pierre et Marie Curie - Paris 6 (UPMC)-Département de Chimie - ENS-PSL, École normale supérieure - Paris (ENS-PSL), Université Paris Sciences et Lettres (PSL)-Université Paris Sciences et Lettres (PSL)-École normale supérieure - Paris (ENS-PSL), Université Paris Sciences et Lettres (PSL)-Université Paris Sciences et Lettres (PSL)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS), Institut Lumière Matière Villeurbanne (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 1610-2940.

مصطلحات موضوعية: Charge, ab-initio quantum chemistry calculations, Fragmentation dynamics, transfer process, Ion-biomolecule collisions, [SDV.BBM]Life Sciences [q-bio]/Biochemistry, Molecular Biology

الاتاحة: https://hal.science/hal-01053090
https://doi.org/10.1007/s00894-014-2221-9

المؤلفون: López-Tarifa P., Hervé du Penhoat M.-A., Vuilleumier R., Gaigeot M.-P., Rothlisberger U., Tavernelli I., Le Padellec A., Champeaux J.-P., Alcamí M., Moretto-Capelle P., Martín F., Politis M.-F.

المساهمون: This paper was intended for the special issue associated to the annual meeting of the COST Action CM0702 held in Cluj-Napoca, Romania between 21-23 March 2012. This work was performed using HPC resources from Mare Nostrum BSC, CCC-UAM, CCR UPMC and GENCI - CINES/IDRIS grant 2010-085014. We thank the support of the MICINN projects FIS2010-15127, CTQ2010-17006, ACI2008-0777, and CSD 2007-00010, the CAM project S2009/MAT1726, the COST Action CM0702, the Picasso project HF2007-0067, and HPC Europa2. P. López-Tarifa, I. Tavernelli and U. Röthlisberger also acknowledge the Swiss NSF through the NCCR MUST interdisciplinary research program. P. López-Tarifa also thanks the FP7 Marie Curie COFUND Action.

المصدر: Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA Nanociencia)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=RECOLECTA___::ec5d8fffbfe31ec61919fff9b41a8be2
http://hdl.handle.net/20.500.12614/2319

المؤلفون: López-Tarifa P., Piekarski D.G., Rossich E., Du Penhoat M.-A.H., Vuilleumier R., Gaigeot M.-P., Tavernelli I., Politis M.-F., Wang Y., Díaz-Tendero S., Martín F., Alcamí M.

المصدر: Repositorio Institucional del Instituto Madrileño de Estudios Avanzados en Nanociencia
Instituto Madrileño de Estudios Avanzados en Nanociencia (IMDEA Nanociencia)

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=RECOLECTA___::bb7c8569ca42fdf2b71d117be80a7c66
http://hdl.handle.net/20.500.12614/2303

المؤلفون: Bircher, Martin P., López-Tarifa, Pablo, Rothlisberger, Ursula

المصدر: Journal of Chemical Theory & Computation; Jan2019, Vol. 15 Issue 1, p557-571, 15p

المؤلفون: López-Tarifa, P., Sánchez-Sanz, G., Alkorta, I., Elguero, J., Sanz, D., Perona, A., Claramunt, R.M.

المصدر: López-Tarifa , P , Sánchez-Sanz , G , Alkorta , I , Elguero , J , Sanz , D , Perona , A & Claramunt , R M 2012 , ' The tautomeric structures of 3(5),3′(5′)-azopyrazole [(E)-1,2-di(1H-pyrazol-3(5)-yl)diazene)]: The combined use of NMR and electronic spectroscopies with DFT calculations ' , J. Mol. Struct. , pp. 138-146 . https://doi.org/10.1016/j.molstruc.2012.02.013

Relation: https://research.manchester.ac.uk/en/publications/156c0232-a191-4ad1-9268-99257dba7ce4

الاتاحة: https://research.manchester.ac.uk/en/publications/156c0232-a191-4ad1-9268-99257dba7ce4
https://doi.org/10.1016/j.molstruc.2012.02.013
http://www.scopus.com/inward/record.url?eid=2-s2.0-84859890380&partnerID=MN8TOARS

المؤلفون: Gaigeot, M. -P., Lopez-Tarifa, P., Martin, F., Alcami, M., Vuilleumier, R., Tavernelli, I., du Penhoat, M. -A. Herve, Politis, M. -F.

المصدر: http://infoscience.epfl.ch/record/172599.

Relation: http://infoscience.epfl.ch/record/172599; ISI:000278633300007

الاتاحة: http://infoscience.epfl.ch/record/172599
https://doi.org/10.1016/j.mrrev.2010.01.004

المؤلفون: López-Tarifa, P., Hervé du Penhoat, M.-A., Vuilleumier, R., Gaigeot, M.-P., Tavernelli, I., Le Padellec, A., Champeaux, J.-P., Alcamí, M., Moretto-Capelle, P., Martín, F., Politis, M.-F.

المصدر: Physical Review Letters ; volume 107, issue 2 ; ISSN 0031-9007 1079-7114

الاتاحة: http://dx.doi.org/10.1103/physrevlett.107.023202
http://link.aps.org/article/10.1103/PhysRevLett.107.023202
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.107.023202/fulltext