المؤلفون: Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J. O., Dunning Jr., T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früuchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Ma, W., Marenich, A. V., del Campo, J. Martin, Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., de la Roza, A. Otero, Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y., Harrison, R. J.

المصدر: J. Chem. Phys., 152, 184102 (2020)

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Computational Physics

الوصول الحر: http://arxiv.org/abs/2004.12023Test

المؤلفون: Aprà, E, Bylaska, EJ, De Jong, WA, Govind, N, Kowalski, K, Straatsma, TP, Valiev, M, Van Dam, HJJ, Alexeev, Y, Anchell, J, Anisimov, V, Aquino, FW, Atta-Fynn, R, Autschbach, J, Bauman, NP, Becca, JC, Bernholdt, DE, Bhaskaran-Nair, K, Bogatko, S, Borowski, P, Boschen, J, Brabec, J, Bruner, A, Cauët, E, Chen, Y, Chuev, GN, Cramer, CJ, Daily, J, Deegan, MJO, Dunning, TH, Dupuis, M, Dyall, KG, Fann, GI, Fischer, SA, Fonari, A, Früchtl, H, Gagliardi, L, Garza, J, Gawande, N, Ghosh, S, Glaesemann, K, Götz, AW, Hammond, J, Helms, V, Hermes, ED, Hirao, K, Hirata, S, Jacquelin, M, Jensen, L, Johnson, BG, Jónsson, H, Kendall, RA, Klemm, M, Kobayashi, R, Konkov, V, Krishnamoorthy, S, Krishnan, M, Lin, Z, Lins, RD, Littlefield, RJ, Logsdail, AJ, Lopata, K, Ma, W, Marenich, AV, Martin Del Campo, J, Mejia-Rodriguez, D, Moore, JE, Mullin, JM, Nakajima, T, Nascimento, DR, Nichols, JA, Nichols, PJ, Nieplocha, J, Otero-De-La-Roza, A, Palmer, B, Panyala, A, Pirojsirikul, T, Peng, B, Peverati, R, Pittner, J, Pollack, L, Richard, RM, Sadayappan, P, Schatz, GC, Shelton, WA, Silverstein, DW, Smith, DMA, Soares, TA, Song, D, Swart, M, Taylor, HL, Thomas, GS, Tipparaju, V, Truhlar, DG, Tsemekhman, K, Van Voorhis, T, Vázquez-Mayagoitia, A, Verma, P, Villa, O, Vishnu, A

المصدر: Journal of Chemical Physics. 152(18)

مصطلحات موضوعية: physics.chem-ph, physics.comp-ph, Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/21w7f5w7Test

المؤلفون: Rosendahl, Philipp, Brabec, J., Wirth, Sofie, Stuhlert, Tim, Wagner, Ingo

مصطلحات موضوعية: ddc:370, Education, info:eu-repo/classification/ddc/370

العلاقة: https://publikationen.bibliothek.kit.edu/1000170129Test

الإتاحة: https://publikationen.bibliothek.kit.edu/1000170129Test

المؤلفون: Vecharynski, E, Brabec, J, Shao, M, Govind, N, Yang, C

مصطلحات موضوعية: Time dependent density functional theory, Linear response eigenvalue problem, Preconditioned eigensolvers, Nuclear & Particles Physics, Mathematical Sciences, Physical Sciences, Information and Computing Sciences

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/8rf6x4kgTest

المؤلفون: Biswas K., Urbani M., Sánchez-Grande A., Soler-Polo D., Lauwaet K., Matěj A., Mutombo P., Veis L., Brabec J., Pernal K., Gallego J.M., Miranda, Rodolfo, Écija, David, Jelínek P., Torres, Tomás, Urgel J.I.

وصف الملف: application/pdf

العلاقة: info:eu:eu-repo/grantAgreement/EC/H2020/886314/EU/On-Surface Synthesis, Transfer and Device Fabrication of Novel Carbon-based Nanomaterials/OssCaNa; IMDEA Nanociencia acknowledges support from the “Severo Ochoa” Program for Centers of Excellence in R&D (MINECO, grant SEV-2016-0686). We appreciate support from the Praemium Academie of the Academy of Science of the Czech Republic and the CzechNanoLab Research Infrastructure supported by MEYS CR (LM2018110). D.E. thanks funding from ERC Consolidator Grant ELECNANO (no. 766555) and Ministerio de Ciencia e Innovación (PID2019-108532GB-I00). K.P. acknowledges the support of the National Science Center of Poland under grant no. 2019/35/B/ST4/01310. P.J. thanks the support of the GACR 20-13692X. J.B. acknowledges the support of the GACR 19-13126Y. J.I.U. thanks the funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sk?odowska-Curie grant agreement no. [886314].; http://hdl.handle.net/20.500.12614/3148Test

الإتاحة: https://doi.org/20.500.12614/3148Test
https://doi.org/10.1021/jacs.2c02700Test
https://hdl.handle.net/20.500.12614/3148Test

المؤلفون: Sánchez-Grande A., Urgel J.I., Veis L., Edalatmanesh S., Santos J., Lauwaet K., Mutombo P., Gallego J.M., Brabec J., Beran P., Nachtigallová D., Miranda, Rodolfo, Martín, Nazario, Jelínek P., Écija, David

العلاقة: info:eu:eu-repo/grantAgreement/EC/H2020/766555/EU/Electrically Tunable Functional Lanthanide Nanoarchitectures on Surfaces/ELECNANO; This project has received funding from Comunidad de Madrid [projects QUIMTRONIC-CM (Y2018/NMT-4783), MAD2D, and NanoMagCost], and Ministerio de Ciencia, Innovación y Universidades (projects SpOrQuMat, CTQ2017-83531-R, PID2019-108532GB-I00, and CTQ2016-81911-REDT). IMDEA Nanociencia is appreciative of support from the “Severo Ochoa” Programme for Centers of Excellence in R&D (MINECO, grant SEV-2016-0686). We acknowledge support from the Praemium Academie of the Academy of Science of the Czech Republic, the GACR 18-09914S, and the CzechNanoLab Research Infrastructure supported by MEYS CR (LM2018110). This study has also been part of the research project RVO of the IOCB of the CAS (61388963). J.I.U. thanks the JCB Atracción de Talento program from the Comunidad de Madrid (contract no. IND-12535). L.V. acknowledges support from the Czech Science Foundation (18-18940Y) and the Center for Scalable and Predictive Methods for Excitation and Correlated Phenomena (SPEC), which was funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences. This work was also supported by the Czech Ministry of Education, Youth, and Sports from the Large Infrastructures for Research, Experimental Development, and Innovations project, e-Infrastructure CZ-LM2018140.; http://hdl.handle.net/20.500.12614/2498Test

الإتاحة: https://doi.org/20.500.12614/2498Test
https://doi.org/10.1021/acs.jpclett.0c02518Test
https://hdl.handle.net/20.500.12614/2498Test

المؤلفون: Ebmer, D., Navarrete, M. J., Muñoz, P., Flores, L. M., Gärnter, U., Brabec, J., Poppert, S., Taubert, A., Hermosilla, C.

وصف الملف: application/pdf

العلاقة: https://edoc.unibas.ch/91074/1/20221206111828_638f16f42c190.pdfTest; Ebmer, D. and Navarrete, M. J. and Muñoz, P. and Flores, L. M. and Gärnter, U. and Brabec, J. and Poppert, S. and Taubert, A. and Hermosilla, C. (2020) Anthropozoonotic parasites circulating in synanthropic and pacific colonies of South American sea lions (Otaria flavescens): non-invasive techniques data and a review of the literature. Front Mar Sci, 7. p. 543829.

الإتاحة: https://doi.org/10.3389/fmars.2020.543829Test
https://edoc.unibas.ch/91074Test/
https://edoc.unibas.ch/91074/1/20221206111828_638f16f42c190.pdfTest

المؤلفون: Mejuto-Zaera, C. Tzeli, D. Williams-Young, D. Tubman, N.M. Matoušek, M. Brabec, J. Veis, L. Xantheas, S.S. De Jong, W.A. Tubman, N.M. Veis, L. Xantheas, S.S. De Jong, W.A.

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=od______2127::6c9385aa525810dcb02e9a93e9a6eddbTest
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025463Test

المؤلفون: Brabec, J, Kostadinova, A, Scholz, T, Littlewood, T

مصطلحات موضوعية: Diplostomum (Platyhelminthes: Trematoda), Fish pathogens, Ribosomal RNA, Illumina next-generation, Mitochondrial genome

العلاقة: http://hdl.handle.net/10141/601457Test; Parasites & Vectors

الإتاحة: https://doi.org/10.1186/s13071-015-0949-4Test
http://hdl.handle.net/10141/601457Test

المؤلفون: Veis, L., Antalík, A., Brabec, J., Neese, F., Legeza, Örs

مصطلحات موضوعية: QC Physics / fizika

وصف الملف: text

العلاقة: http://real.mtak.hu/172727/1/1606.06002.pdfTest; Veis, L. and Antalík, A. and Brabec, J. and Neese, F. and Legeza, Örs (2016) Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7 (20). pp. 4072-4078. ISSN 1948-7185

الإتاحة: https://doi.org/10.1021/acs.jpclett.6b01908Test
http://real.mtak.hu/172727Test/
http://real.mtak.hu/172727/1/1606.06002.pdfTest