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DerechosPreviewFecha Public.TítuloAutor(es)Tipo
openAccessquantum propagator.pdf.jpg4-feb-2011A quantum propagator for path-integral simulations of rigid moleculesNoya, Eva G. CSIC ORCID; Vega, Carlos; McBride, Carl CSIC ORCIDartículo
openAccesstemperature_of_maximum_density.pdf.jpg14-sep-2012A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid modelsMcBride, Carl CSIC ORCID; Aragonés, J. L.; Noya, Eva G. CSIC ORCID; Vega, Carlosartículo
openAccessinteraction_mechanisms.pdf.jpg19-oct-2021COVID19 Disease Map, a computational knowledge repository of virus–host interaction mechanismsOstaszewski, Marek; Niarakis, Anna; Mazein, Alexander; Kuperstein, Inna; Phair, Robert; Orta-Resendiz, Aurelio; Singh, Vidisha; Aghamiri, Sara Sadat; Acencio, Marcio Luis; Glaab, Enrico; Ruepp, Andreas; Schreiber, Falk; Montagud, Arnau; Ponce de León, Miguel; Funahashi, Akira; Hiki, Yusuke; Hiroi, Noriko; Yamada, Takahiro G.; Dräger, Andreas; Renz, Alina; Naveez, Muhammad; Orlic-Milacic, Marija; Bocskei, Zsolt; Messina, Francesco; Börnigen, Daniela; Fergusson, Liam; Conti, Marta; Rameil, Marius; Nakonecnij, Vanessa; Vanhoefer, Jakob; Schmiester, Leonard; Wang, Muying; Senff Ribeiro, Andrea; Ackerman, Emily E.; Shoemaker, Jason E.; Zucker, Jeremy; Oxford, Kristie; Teuton, Jeremy; Kocakaya, Ebru; Summak, Gökçe Yagmu; Hanspers, Kristina; Kutmon, Martina; Coort, Susan; Rothfels, Karen; Eijssen, Lars; Ehrhart, Friederike; Arokia Balaya Rex, Devasahayam; Slenter, Denise; Martens, Marvin; Pham, Nhung; Haw, Robin; Jassal, Bijay; Matthews, Lisa; Shamovsky, Veronic; Stephan, Ralf; Sevilla, Cristoffer; Varusai, Thawfeek; Ravel, Jean-Marie; Fraser, Rupsha; Ortseifen, Vera; Soliman, Sylvain; Marchesi, Silvia; Gawron, Piotr; Smula, Ewa; Heirendt, Laurent; Satagopam, Venkata; Wu, Guanming; Riutta, Anders; Golebiewski, Martin; Owen, Stuart; Goble, Carole; Valdeolivas, Alberto; Hu, Xiaoming; Overall, Rupert W.; Maier, Dieter; Bauch, Angela; Gyori, Benjamin M.; Bachman, John A.; Vega, Carlos; Groues, Valentin; Vázquez, Miguel; Porras, Pablo; Esteban-Medina, Marina CSIC ORCID; Licata, Luana; Iannuccelli, Marta; Sacco, Francesca; Nesterova, Anastasia; Yuryev, Anton; Waard, Anita de; Turei, Denes; Luna, Augustín; Babur, Ozgun; Peña-Chilet, María CSIC ORCID; Rian, Kinza; Helikar, Tomas; Lal Puniya, Bhanwar; Modos, Dezso; Treveil, Agatha; Olbe, Marton; Fobo, Gisela; De Meulder, Bertrand; Ballereau, Stephane; Dugourd, Aurelien; Naldi, Aurelien; Noël, Vincent; Calzone, Laurence; Sander, Chris; Demir, Emek; Korcsmaros, Tamas; Freeman, Tom C.; Montrone, Corinna; Auge, Franck; Beckmann, Jacques S.; Hasenauer, Jan; Wolkenhauer, Olaf; Wilighagen, Egon L .; Pico, Alexander R.; Evelo, Chris T.; Gillespie, Marc E.; Stein, Lincoln D.; Hermjakob, Henning; Brauner, Barbara; D’Eustachio, Peter; Sáez-Rodríguez, Julio; Dopazo, Joaquín CSIC ORCID; Valencia, Alfonso; Kitano, Hiroaki; Barillot, Emmanuel; Auffray, Charles; Balling, Rudi; Schneider, Reinhard; Frishman, Goar; Monraz Gómez, Luis Cristóbal; Somers, Julia; Hoch, Matti; Gupta, Shailendra Kumar; Scheel, Julia; Borlinghaus, Hanna; Czauderna, Tobiasartículo
openAccessquantum_propagator.pdf.jpg14-jun-2013Erratum: A quantum propagator for path-integral simulations of rigid molecules (Journal of Chemical Physics (2011) 134 (054117))Noya, Eva G. CSIC ORCID; Vega, Carlos; McBride, Carl CSIC ORCIDcorrigenda
openAccessjcp_CPLamas_et_al_2023.pdf.jpg28-mar-2023Estimation of bubble cavitation rates in a symmetrical Lennard-Jones mixture by NVT seeding simulationsLamas, Cintia P. CSIC ORCID; Sanz, Eduardo; Vega, Carlos; Noya, Eva G. CSIC ORCIDartículo
openAccessFreezing point depression.pdf.jpg4-abr-2022Freezing point depression of salt aqueous solutions using the Madrid-2019 modelLamas, Cintia P. CSIC ORCID; Vega, Carlos; Noya, Eva G. CSIC ORCIDartículo
openAccessice nucleation.pdf.jpg21-nov-2012Local order parameters for use in driving homogeneous ice nucleation with all-atom models of waterReinhardt, Aleks; Doye, Jonathan P. K.; Noya, Eva G. CSIC ORCID; Vega, Carlosartículo
openAccessNucleation of pseudo hard-spheres.pdf.jpg3-jun-2019Nucleation of pseudo hard-spheres and dumbbells at moderate metastabilities: appearance of A15 Frank-Kasper phase at inteNoya, Eva G. CSIC ORCID; Zubieta, Itziar CSIC; Valzque del Saz, Miguel; Llombart, Pablo CSIC ORCID; Vega, Carlospóster de congreso
closedAccessaccesoRestringido.pdf.jpg12-oct-2018Nucleation of pseudo hard-spheres and dumbbells at moderate metastability: Appearance of A15 Frank-Kasper phase at intermediate elongationsZubieta, Itziar CSIC; Vázquez del Saz, Miguel; Llombart, Pablo CSIC ORCID; Vega, Carlos; Noya, Eva G. CSIC ORCIDactas de congreso
openAccessMonte_Carlo_simulations.pdf.jpg18-nov-2011Path integral Monte Carlo simulations for rigid rotors and their application to waterNoya, Eva G. CSIC ORCID; Sese, L. M.; Ramírez, Rafael CSIC ORCID; McBride, Carl CSIC ORCID; Conde, María M.; Vega, Carlosartículo
openAccesshttp___scitation.aip.org_getpdf_servlet_GetPDFServlet10.1063_1.pdf.jpg30-sep-2009Quantum effects on the maximum in density of water as described by the TIP4PQ/2005 modelNoya, Eva G. CSIC ORCID; Vega, Carlos; Sesé, Luis M.; Ramírez, Rafael CSIC ORCIDartículo
openAccessphase_diagram_of_water.pdf.jpg22-may-2012The phase diagram of water from quantum simulationsMcBride, Carl CSIC ORCID; Noya, Eva G. CSIC ORCID; Aragonés, J. L.; Conde, María M.; Vega, Carlosartículo
openAccessaccesoRestringido.pdf.jpg28-mar-2023The water cavitation line as predicted by the TIP4P/2005 modelLamas, Cintia P. CSIC ORCID; Vega, Carlos; Noya, Eva G. CSIC ORCID; Sanz, Eduardoartículo