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1Academic Journal
المساهمون: Universidad de Sevilla. Departamento de Química Física
Relation: Journal of Chemical Physics, 124 (23), 234109.; https://doi.org/10.1063/1.2202738; https://idus.us.es/handle//11441/135656
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2Academic Journal
المؤلفون: Angeli, Celestino, Cimiraglia, Renzo, Dallo, Federico
المصدر: Journal of Chemical Education. Dec 2013 90(12):1639-1644.
Peer Reviewed: Y
Page Count: 6
Descriptors: Science Instruction, College Science, Thermodynamics, Energy, Scientific Principles, Chemistry, Undergraduate Study, Graduate Study
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3Academic Journal
المؤلفون: Ponzi, Aurora, Sapunar, Marin, ANGELI, Celestino, CIMIRAGLIA, Renzo, Došlić, Nađa, Decleva, Piero
المساهمون: Ponzi, Aurora, Sapunar, Marin, Angeli, Celestino, Cimiraglia, Renzo, Došlić, Nađa, Decleva, Piero
مصطلحات موضوعية: Excited states, Photoionization, Density functional theory. Ionization, Wave functions
وصف الملف: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/pmid/26931702; info:eu-repo/semantics/altIdentifier/wos/WOS:000371618800031; volume:144; issue:8; firstpage:084307-1; lastpage:084307-12; numberofpages:12; journal:THE JOURNAL OF CHEMICAL PHYSICS; http://hdl.handle.net/11392/2364970; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84959345786; http://scitation.aip.org/content/aip/journal/jcp/144/8/10.1063/1.4941608
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4Academic Journal
المؤلفون: Angeli, Celestino, Cimiraglia, Renzo, Malrieu, Jean-Paul
المصدر: Journal of Chemical Education. Jan 2008 85(1):150-158.
Peer Reviewed: Y
Page Count: 9
Descriptors: Chemistry, Science Instruction, Molecular Structure, College Science, Quantum Mechanics, Mechanics (Physics), Equations (Mathematics)
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5Academic Journal
المؤلفون: Angeli, Celestino, Borini, Stefano, Cimiraglia, Renzo
المصدر: Journal of Chemical Education. May 2005 82(5):795-795.
Peer Reviewed: Y
Page Count: 6
Descriptors: Computer Software, Physics, Scientific Concepts, Chemistry, Science Instruction, Teaching Methods, Courseware, Problem Solving, Equations (Mathematics)
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6Academic Journal
المؤلفون: FRACCHIA, Francesco, CIMIRAGLIA, Renzo, ANGELI, Celestino
المساهمون: Fracchia, Francesco, Cimiraglia, Renzo, Angeli, Celestino
مصطلحات موضوعية: Chemical Reaction Barrier, NEVPT2, benchmark, Multireference Perturbation Theory
وصف الملف: STAMPA
Relation: info:eu-repo/semantics/altIdentifier/pmid/25662748; info:eu-repo/semantics/altIdentifier/wos/WOS:000355495100044; ispartofbook:The Journal of Physical Chemistry A; volume:119; issue:21; firstpage:5490; lastpage:5495; numberofpages:6; journal:JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY; http://hdl.handle.net/11392/2305016; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84930656338
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7Academic Journal
المساهمون: Universidad de Sevilla. Departamento de Química Física
Relation: Journal of Chemical Physics, 124 (23), 1-15.; https://dx.doi.org/10.1063/1.4733974; https://idus.us.es/handle/11441/48334
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8Academic Journal
المؤلفون: Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonja, Dahle, Pål, Dalskov, Erik K., Ekström, Ulf Egil, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hattig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stine, Høyvik, Ida Marie, Iozzi, Maria Francesca, Jansik, Brannislav, Jensen, Hans-Jørgen Aa., Jonsson, Dan Johan, Jørgensen, Poul, Kauczor, Johanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf Heilemann, Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Olsen, Jogvan Magnus H., Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas Bondo, Provasi, Patricio F., Reine, Simen Sommerfelt, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Salek, Pawel, Samson, Claire C. M., Sanchez de Meras, Alfredo, Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn Hykkerud, Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik, Tew, David P., Thorvaldsen, Andreas J., Thøgersen, Lea, Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin, Ågren, Hans
مصطلحات موضوعية: VDP::Matematikk og Naturvitenskap: 400::Kjemi: 440::Teoretisk kjemi, kvantekjemi: 444, VDP::Mathematics and natural science: 400::Chemistry: 440::Theoretical chemistry, quantum chemistry: 444
Relation: Wiley Interdisciplinary Reviews. Computational Molecular Science; Norges forskningsråd: 179568; Notur/NorStore: nn2962k; Forsvarets forskningsinstitutt: 1258; info:eu-repo/grantAgreement/RCN/SFF/179568/Norway/CTCC//; Aidas K . [et. al.]: The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 2014;4(3):269-284; FRIDAID 1093240; https://hdl.handle.net/10037/11674
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9Academic Journal
المؤلفون: Angeli, Celestino, Cimiraglia, Renzo, Pastore, Mariachiara
المصدر: Molecular Physics ; volume 110, issue 23, page 2963-2968 ; ISSN 0026-8976 1362-3028
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10Academic Journal
المؤلفون: Cimiraglia, Renzo, Angeli, Celestino
المساهمون: Dipartimento di Chimica, Università degli Studi di Ferrara (UniFE)
المصدر: ISSN: 0026-8976.
مصطلحات موضوعية: Physical Sciences, [PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]
Relation: hal-00687344; https://hal.archives-ouvertes.fr/hal-00687344; https://hal.archives-ouvertes.fr/hal-00687344/document; https://hal.archives-ouvertes.fr/hal-00687344/file/PEER_stage2_10.1080%252F00268976.2011.566586.pdf
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11Academic Journal
المؤلفون: Angeli, Celestino, Sparta†, Manuel, Cimiraglia, Renzo
المصدر: Molecular Physics ; volume 104, issue 5-7, page 691-700 ; ISSN 0026-8976 1362-3028
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12Academic Journal
المؤلفون: ANGELI, CELESTINO, CALZADO, CARMEN J., CIMIRAGLIA, RENZO, EVANGELISTI, STEFANO, GUIHÉRY, NATHALIE, LEININGER, THIERRY, MALRIEU, JEAN-PAUL, MAYNAU, DANIEL, RUIZ, JOSÉ VICENTE PITARCH, SPARTA, MANUEL
المصدر: Molecular Physics ; volume 101, issue 9, page 1389-1398 ; ISSN 0026-8976 1362-3028
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13Academic Journal
المؤلفون: ANGELI, CELESTINO, CALZADO, CARMEN, CIMIRAGLIA, RENZO, EVANGELISTI, STEFANO, MAYNA, DANIEL
المصدر: Molecular Physics ; volume 101, issue 13, page 1937-1944 ; ISSN 0026-8976
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14Academic Journal
المؤلفون: Angeli, Celestino, Cimiraglia, Renzo, Malrieu, Jean-Paul
المصدر: The Journal of Chemical Physics ; volume 117, issue 20, page 9138-9153 ; ISSN 0021-9606 1089-7690
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15Academic Journal
المصدر: Journal of Chemical Physics; 5/28/2014, Vol. 140 Issue 20, p204304-1-204304-10, 10p, 1 Chart, 7 Graphs
مصطلحات موضوعية: PHOTOIONIZATION, ELECTRON configuration, SULFIDES, CARBON, ATOMIC orbitals, PHOTOELECTRON spectra, VALENCE (Chemistry)
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16Academic Journal
المؤلفون: Ronca, Enrico, Pastore, Mariachiara, Belpassi, Leonardo, De Angelis, Filippo, Angeli, Celestino, Cimiraglia, Renzo, Tarantelli, Francesco
المصدر: Journal of Chemical Physics; 2/7/2014, Vol. 140 Issue 5, p054110-1-054110-13, 13p, 3 Charts, 8 Graphs
مصطلحات موضوعية: ELECTRONIC circuit design, PARTICLES (Nuclear physics), ELECTRONIC systems, QUANTUM chemistry, MOLECULES
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17Academic Journal
المؤلفون: Camacho, Cristopher, Witek, Henryk A., Cimiraglia, Renzo
المصدر: Journal of Chemical Physics; 6/28/2010, Vol. 132 Issue 24, p244306, 9p, 4 Charts, 4 Graphs
مصطلحات موضوعية: SCANDIUM, PERTURBATION theory, DIFFUSION, ELECTRON paramagnetic resonance, MONTE Carlo method
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18Academic Journal
المؤلفون: Pastore, Mariachiara, Monari, Antonio, Angeli, Celestino, Bendazzoli, Gian Luigi, Cimiraglia, Renzo, Evangelisti, Stefano
المصدر: Journal of Chemical Physics; 7/21/2009, Vol. 131 Issue 3, p034309, 12p, 5 Charts, 9 Graphs
مصطلحات موضوعية: POTENTIAL energy surfaces, BINDING energy, NUCLEAR forces (Physics), QUANTUM chemistry, CHEMICAL elements
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19Academic Journal
المؤلفون: Angeli, Celestino, Cavallini, Alex, Cimiraglia, Renzo
المصدر: Journal of Chemical Physics; 6/28/2008, Vol. 128 Issue 24, p244317, 6p, 1 Chart, 4 Graphs
مصطلحات موضوعية: FORCE & energy, QUANTUM perturbations, QUANTUM chemistry, DENSITY functionals, TRANSITION metals
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20Academic Journal
المؤلفون: Pastore, Mariachiara, Helal, Wissam, Evangelisti, Stefano, Leininger, Thierry, Malrieu, Jean-Paul, Maynau, Daniel, Angeli, Celestino, Cimiraglia, Renzo
المصدر: Journal of Chemical Physics; 5/7/2008, Vol. 128 Issue 17, p174102, 9p, 1 Diagram, 2 Charts, 4 Graphs
مصطلحات موضوعية: PERTURBATION theory, PARTICLES (Nuclear physics), HAMILTONIAN systems, ELECTRONIC structure, PHYSICAL & theoretical chemistry