المؤلفون: Battaglia, Stefano, Galván, Ignacio Fdez., Lindh, Roland

المصدر: In Theoretical and Computational Photochemistry; Elsevier, 2023; pp 135-162

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

URL الوصول: http://arxiv.org/abs/2305.06678

المؤلفون: Doloczki, Susanne, Holmberg, Karl O., Galván, Ignacio Fdez., 1977, Swartling, Fredrik J., 1975, Dyrager, Christine

المصدر: RSC Advances. 12(23):14544-14550

وصف الملف: electronic

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-474469
https://doi.org/10.1039/d2ra01404a
https://uu.diva-portal.org/smash/get/diva2:1658313/FULLTEXT01.pdf

المؤلفون: Vacher, Morgane, Farahani, Pooria, Valentini, Alessio, Frutos, Luis Manuel, Karlsson, Hans O., Galván, Ignacio Fdez., Lindh, Roland

المصدر: J. Phys. Chem. Lett. 8, 3790-3794 (2017)

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/1708.04114

المؤلفون: Vacher, Morgane, Brakestad, Anders, Karlsson, Hans O., Galvan, Ignacio Fdez., Lindh, Roland

مصطلحات موضوعية: Physics - Chemical Physics, Physics - Biological Physics

URL الوصول: http://arxiv.org/abs/1705.02852

المؤلفون: Manni, Giovanni Li, Galván, Ignacio Fdez, Alavi, Ali, Aleotti, Flavia, Aquilante, Francesco, Autschbach, Jochen, Avagliano, Davide, Baiardi, Alberto, Bao, Jie, Battaglia, Stefano, Birnoschi, Letitia, Blanco-Gonzalez, Alejandro, Bokarev, Sergey I., Broer, Ria, Cacciari, Roberto, Calio, Paul, Carlson, Rebecca K, Couto, Rafael Carvalho, Cerdán, L., Chibotaru, Liviu, Chilton, Nicholas F., Church, Jonathan, conti, irene, Coriani, Sonia, Cuéllar-Zuquin, Juliana, Daoud, Razan E., Dattani, Nike, decleva, piero, Graaf, Coen de, Delcey, Mickaël, Vico, Luca De, Dobrautz, Werner, Dong, Sijia, Feng, Rulin, Ferré, Nicolas, Filatov(Gulak), Michael, Gagliardi, Laura, MARCO, GARAVELLI, Gonzalez, Leticia, Guan, Yafu, Guo, Meiyuan, Hennefarth, Matthew R., Hermes, Matthew R, Hoyer, Chad E., Huix-Rotllant, Miquel, Vishal, Kumar JAISWAL, Kaiser, Andy, Kaliakin, Danil S., Khamesian, Marjan, Kochetov, Vladislav, Oakley, Meagan, Staab, Jakob

المصدر: Manni , G L , Galván , I F , Alavi , A , Aleotti , F , Aquilante , F , Autschbach , J , Avagliano , D , Baiardi , A , Bao , J , Battaglia , S , Birnoschi , L , Blanco-Gonzalez , A , Bokarev , S I , Broer , R , Cacciari , R , Calio , P , Carlson , R K , Couto , R C , Cerdán , L , Chibotaru , L , Chilton , N F , Church , J , conti , I , Coriani ....

Relation: https://research.manchester.ac.uk/en/publications/fe7ced18-bd9a-4b18-bf21-ea9c524e5fb7

الاتاحة: https://research.manchester.ac.uk/en/publications/fe7ced18-bd9a-4b18-bf21-ea9c524e5fb7
https://doi.org/10.1021/acs.jctc.3c00182
http://www.scopus.com/inward/record.url?scp=85162813210&partnerID=8YFLogxK
https://www.mendeley.com/catalogue/c7fcefd9-9a9d-3cca-a6c6-4cfaa621be05/

المؤلفون: Pedersen, Thomas Bondo, Lehtola, Susi, Galván, Ignacio Fdez., Lindh, Roland

المصدر: 1759-0876.

Relation: NFR/262695; Pedersen, Thomas Bondo Lehtola, Susi Galván, Ignacio Fdez. Lindh, Roland . The versatility of the Cholesky decomposition in electronic structure theory. Wiley Interdisciplinary Reviews. Computational Molecular Science. 2023; http://hdl.handle.net/10852/105736; 2175744; info:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Wiley Interdisciplinary Reviews. Computational Molecular Science&rft.volume=&rft.spage=&rft.date=2023; Wiley Interdisciplinary Reviews. Computational Molecular Science; https://doi.org/10.1002/wcms.1692

الاتاحة: http://hdl.handle.net/10852/105736
https://doi.org/10.1002/wcms.1692

المؤلفون: Calio, Paul B., Hermes, Matthew R., Bao, Jie J., Galván, Ignacio Fdez., Lindh, Roland, Truhlar, Donald G., Gagliardi, Laura

المساهمون: Division of Chemistry

المصدر: The Journal of Physical Chemistry A ; volume 128, issue 9, page 1698-1706 ; ISSN 1089-5639 1520-5215

الاتاحة: http://dx.doi.org/10.1021/acs.jpca.3c07048
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c07048

المؤلفون: Sankari, Anna, Stråhlman, Christian, Sankari, Rami, Partanen, Leena, Laksman, Joakim, Kettunen, J. Antti, Galván, Ignacio Fdez, Lindh, Roland, Malmqvist, Per Åke, Sorensen, Stacey L.

المصدر: Journal of Chemical Physics. 152(7)

مصطلحات موضوعية: Naturvetenskap, Kemi, Fysikalisk kemi, Natural Sciences, Chemical Sciences, Physical Chemistry, Fysik, Atom- och molekylfysik och optik, Physical Sciences, Atom and Molecular Physics and Optics

وصف الملف: electronic

URL الوصول: https://lup.lub.lu.se/record/9001c499-ad72-47dd-ac01-9fbf57ffd181
https://portal.research.lu.se/files/98474779/Non_radiative_decay_and_fragmentation_in_water_after_O_1s_ionization_and_O_1s_4a_1_excitation_studied_by_electron_energy_resolved_electron_ion_coincid.pdf
http://dx.doi.org/10.1063/1.5141414

المؤلفون: Pedersen, Thomas Bondo, Lehtola, Susi, Galvan, Ignacio Fdez, Lindh, Roland

المساهمون: Department of Chemistry

مصطلحات موضوعية: Cholesky decomposition, Auxiliary basis sets, Reduced scaling, Two-electron integrals, Chemical sciences

وصف الملف: application/pdf

Relation: Academy of Finland, Grant/Award Numbers: 350282, 353749; Norges Forskningsrad, Grant/Award Number: 262695; Vetenskapsradet, Grant/Award Number: 2020-03182; Pedersen , T B , Lehtola , S , Galvan , I F & Lindh , R 2023 , ' The versatility of the Cholesky decomposition in electronic structure theory ' , Wiley interdisciplinary reviews: Computational molecular science . https://doi.org/10.1002/wcms.1692; ORCID: /0000-0001-6296-8103/work/150714200; http://hdl.handle.net/10138/569199; a325834c-e398-4bf5-94a8-15215ae3aad5; 001116637000001

الاتاحة: http://hdl.handle.net/10138/569199

المؤلفون: Raggi, Gerardo, Galván, Ignacio Fdez, Ritterhoff, Christian, Vacher, Morgane, Lindh, Roland

المساهمون: Uppsala University, Uppsala Universitet Uppsala, Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation (CEISAM), Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)-Nantes université - UFR des Sciences et des Techniques (Nantes univ - UFR ST), Nantes Université - pôle Sciences et technologie, Nantes Université (Nantes Univ)-Nantes Université (Nantes Univ)-Nantes Université - pôle Sciences et technologie, Nantes Université (Nantes Univ)-Nantes Université (Nantes Univ)

المصدر: ISSN: 1549-9618.

مصطلحات موضوعية: [CHIM.CHEM]Chemical Sciences/Cheminformatics, [INFO.INFO-LG]Computer Science [cs]/Machine Learning [cs.LG]

Relation: info:eu-repo/semantics/altIdentifier/pmid/32374164; hal-03018916; https://hal.science/hal-03018916; https://hal.science/hal-03018916/document; https://hal.science/hal-03018916/file/ct0c00257.pdf; PUBMED: 32374164; PUBMEDCENTRAL: PMC7304864

الاتاحة: https://hal.science/hal-03018916
https://hal.science/hal-03018916/document
https://hal.science/hal-03018916/file/ct0c00257.pdf
https://doi.org/10.1021/acs.jctc.0c00257

المؤلفون: Aquilante, Francesco, Autschbach, Jochen, Baiardi, Alberto, Battaglia, Stefano, Borin, Veniamin A., Chibotaru, Liviu F., Conti, Irene, de Vico, Luca, Delcey, Michael, Galván, Ignacio Fdez., Ferré, Nicolas, Freitag, Leon, Garavelli, Marco, Gong, Xuejun, Knecht, Stefan, Larsson, Ernst D., Lindh, Roland, Lundberg, Marcus, Malmqvist, Per-Åke, Nenov, Artur, Norell, Jesper, Odelius, Michael, Olivucci, Massimo, Pedersen, Thomas Bondo, Pedraza-Gonzalez, Laura, Phung, Quan M., Pierloot, Kristine, Reiher, Markus, Schapiro, Igor, Segarra-Martí, Javier, Segatta, Francesco, Seijo, Luis, Sen, Saumik, Sergentu, Dumitru-Claudiu, Stein, Christopher J., Ungur, Liviu, Vacher, Morgane, Valentini, Alessio, Veryazov, Valera

المصدر: 0021-9606.

Relation: NFR/240698; NFR/262695; http://urn.nb.no/URN:NBN:no-81469; Aquilante, Francesco Autschbach, Jochen Baiardi, Alberto Battaglia, Stefano Borin, Veniamin A. Chibotaru, Liviu F. Conti, Irene de Vico, Luca Delcey, Michael Galván, Ignacio Fdez. Ferré, Nicolas Freitag, Leon Garavelli, Marco Gong, Xuejun Knecht, Stefan Larsson, Ernst D. Lindh, Roland Lundberg, Marcus Malmqvist, Per-Åke Nenov, Artur Norell, Jesper Odelius, Michael Olivucci, Massimo Pedersen, Thomas Bondo Pedraza-Gonzalez, Laura Phung, Quan M. Pierloot, Kristine Reiher, Markus Schapiro, Igor Segarra-Martí, Javier Segatta, Francesco Seijo, Luis Sen, Saumik Sergentu, Dumitru-Claudiu Stein, Christopher J. Ungur, Liviu Vacher, Morgane Valentini, Alessio Veryazov, Valera . Modern quantum chemistry with [Open]Molcas. Journal of Chemical Physics. 2020, 152(21); http://hdl.handle.net/10852/78364; 1814186; info:ofi/fmt:kev:mtx:ctx&ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal of Chemical Physics&rft.volume=152&rft.spage=&rft.date=2020; Journal of Chemical Physics; 152; 21; https://doi.org/10.1063/5.0004835; URN:NBN:no-81469; Fulltext https://www.duo.uio.no/bitstream/handle/10852/78364/1/Aquilante%2Bet%2Bal.%2B-%2B2020%2B-%2BModern%2Bquantum%2Bchemistry%2Bwith%2BOpenMolcas.pdf

الاتاحة: http://hdl.handle.net/10852/78364
http://urn.nb.no/URN:NBN:no-81469
https://doi.org/10.1063/5.0004835

المؤلفون: Häse, Florian, Galván, Ignacio Fdez., Aspuru-Guzik, Alán, Lindh, Roland, Vacher, Morgane

المصدر: Journal of Physics: Conference Series ; volume 1412, issue 4, page 042003 ; ISSN 1742-6588 1742-6596

الاتاحة: http://dx.doi.org/10.1088/1742-6596/1412/4/042003
https://iopscience.iop.org/article/10.1088/1742-6596/1412/4/042003/pdf
https://iopscience.iop.org/article/10.1088/1742-6596/1412/4/042003

المؤلفون: Pedersen, Thomas Bondo, Lehtola, Susi, Galván, Ignacio Fdez., Lindh, Roland

المصدر: Pedersen, Thomas Bondo Lehtola, Susi Galván, Ignacio Fdez. Lindh, Roland . The versatility of the Cholesky decomposition in electronic structure theory. Wiley Interdisciplinary Reviews. Computational Molecular Science. 2023
Wiley Interdisciplinary Reviews. Computational Molecular Science

Relation: NFR/262695

الاتاحة: http://hdl.handle.net/10852/105736

المؤلفون: Pedersen, Thomas B., Lehtola, Susi, Galván, Ignacio Fdez., Lindh, Roland

المساهمون: Vetenskapsrådet, Academy of Finland

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-579sk-v4
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/64f4750c79853bbd78ff0558/original/the-versatility-of-cholesky-decomposition-in-electronic-structure-theory.pdf

المؤلفون: Pedersen, Thomas B., Galván, Ignacio Fdez., Lindh, Roland

المساهمون: Vetenskapsrådet

الاتاحة: http://dx.doi.org/10.26434/chemrxiv-2023-579sk
https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/64520c5e27fccdb3ea6a5c2f/original/the-versatility-of-cholesky-decomposition-of-electron-repulsion-integrals.pdf

المؤلفون: Farahani, Pooria, Oliveira, Marcelo A., Galván, Ignacio Fdez., Baader, Wilhelm J.

المساهمون: São Paulo Research Foundation

المصدر: RSC Advances ; volume 7, issue 28, page 17462-17472 ; ISSN 2046-2069

الاتاحة: http://dx.doi.org/10.1039/c6ra26575h
http://pubs.rsc.org/en/content/articlepdf/2017/RA/C6RA26575H

المؤلفون: Sankari, Anna, Stråhlman, Christian, Sankari, Rami, Partanen, Leena, Laksman, Joakim, Kettunen, J. Antti, Galván, Ignacio Fdez., Lindh, Roland, Malmqvist, Per-Åke, Sorensen, Stacey L.

المصدر: Journal of Chemical Physics; 2/21/2020, Vol. 152 Issue 7, p1-7, 7p, 1 Diagram, 1 Chart, 3 Graphs

مصطلحات موضوعية: ION pairs, POTENTIAL energy surfaces, DAUGHTER ions, IONS, COINCIDENCE, MOLECULES

المؤلفون: Galván, Ignacio Fdez., Vacher, Morgane, Alavi, Ali, Angeli, Celestino, Aquilante, Francesco, Autschbach, Jochen, Bao, Jie J., Bokarev, Sergey I., Bogdanov, Nikolay A., Carlson, Rebecca K., Chibotaru, Liviu F., Creutzberg, Joel, Dattani, Nike, Delcey, Mickaël G., Dong, Sijia S., Dreuw, Andreas, Freitag, Leon, Manuel Frutos, Luis, Gagliardi, Laura, Gendron, Frédéric, Giussani, Angelo, González, Leticia, Grell, Gilbert, Guo, Meiyuan, Hoyer, Chad E., Johansson, Marcus, Keller, Sebastian, Knecht, Stefan, Kovačević, Goran, Källman, Erik, Li Manni, Giovanni, Lundberg, Marcus, Ma, Yingjin, Mai, Sebastian, Malhado, João Pedro, Malmqvist, Per Åke, Marquetand, Philipp, Mewes, Stefanie A., Norell, Jesper, Olivucci, Massimo, Oppel, Markus, Quan, Manh, Pierloot, Kristine, Plasser, Felix, Reiher, Markus, Sand, Andrew M., Schapiro, Igor, Sharma, Prachi, Stein, Christopher J., Sørensen, Lasse Kragh, Truhlar, Donald G., Ugandi, Mihkel, Ungur, Liviu, Valentini, Alessio, Vancoillie, Steven, Veryazov, Valera, Weser, Oskar, Wesołowski, Tomasz A., Widmark, Per-Olof, Wouters, Sebastian, Zech, Alexander, Zobel, J. Patrick, Lindh, Roland

المصدر: Journal of Chemical Theory and Computation. 15(11):5925-5964

وصف الملف: print

URL الوصول: https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-176577

المؤلفون: Khamesian, Marjan, Galván, Ignacio Fdez., Delcey, Mickaël G., Sørensen, Lasse Kragh, Lindh, Roland

المساهمون: Vetenskapsrådet, Carl Tryggers Stiftelse för Vetenskaplig Forskning, Knut och Alice Wallenbergs Stiftelse

المصدر: Annual Reports in Computational Chemistry ; page 39-76 ; ISSN 1574-1400

الاتاحة: http://dx.doi.org/10.1016/bs.arcc.2019.08.004
https://api.elsevier.com/content/article/PII:S1574140019300040?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S1574140019300040?httpAccept=text/plain

المؤلفون: Roca-Sanjuán, Daniel, Francés-Monerris, Antonio, Galván, Ignacio Fdez., Farahani, Pooria, Lindh, Roland, Liu, Ya-Jun

المصدر: Photochemistry ; page 16-60 ; ISSN 1465-1947

الاتاحة: http://dx.doi.org/10.1039/9781782626954-00016