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1 |
Material Type: Livro
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Conceptual Perspectives in Quantum ChemistryJean-Louis Kryachko, Eugene Calais Eugene Kryachko; Eugene S KryachkoSpringer Netherlands 1997Acesso online. A biblioteca também possui exemplares impressos. |
2 |
Material Type: Livro
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Quantum chemistry & spectroscopyThomas Engel 1942 Warren J Hehre; Thomas Engel 1942New York Prentice Hall c2010Localização: IF - Instituto de Física (541.28 E57q 2.ed ) e outros locais(Acessar) |
3 |
Material Type: Livro
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Modern Density Functional Theory: A Tool For ChemistryP. Politzer Peter Politzer; J. M Seminario; Jorge M SeminarioElsevier 1995Acesso online. A biblioteca também possui exemplares impressos. |
4 |
Material Type: Livro
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Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum MechanicsLewars, Errol GCham: Springer International Publishing AG 2016Texto completo disponível |
5 |
Material Type: Artigo
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Topological quantum chemistryBradlyn, Barry ; Elcoro, L ; Cano, Jennifer ; Vergniory, M G ; Wang, Zhijun ; Felser, C ; Aroyo, M I ; Bernevig, B AndreiNature (London), 2017-07, Vol.547 (7663), p.298-305 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
6 |
Material Type: Livro
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Density Functional Methods in ChemistryJan K. Andzelm, Jan W. Labanowski Jan W AndzelmSpringer New York 1991Acesso online. A biblioteca também possui exemplares impressos. |
7 |
Material Type: Artigo
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Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programsSmith, Daniel G. A. ; Lolinco, Annabelle T. ; Glick, Zachary L. ; Lee, Jiyoung ; Alenaizan, Asem ; Barnes, Taylor A. ; Borca, Carlos H. ; Di Remigio, Roberto ; Dotson, David L. ; Ehlert, Sebastian ; Heide, Alexander G. ; Herbst, Michael F. ; Hermann, Jan ; Hicks, Colton B. ; Horton, Joshua T. ; Hurtado, Adrian G. ; Kraus, Peter ; Kruse, Holger ; Lee, Sebastian J. R. ; Misiewicz, Jonathon P. ; Naden, Levi N. ; Ramezanghorbani, Farhad ; Scheurer, Maximilian ; Schriber, Jeffrey B. ; Simmonett, Andrew C. ; Steinmetzer, Johannes ; Wagner, Jeffrey R. ; Ward, Logan ; Welborn, Matthew ; Altarawy, Doaa ; Anwar, Jamshed ; Chodera, John D. ; Dreuw, Andreas ; Kulik, Heather J. ; Liu, Fang ; Martínez, Todd J. ; Matthews, Devin A. ; Schaefer, Henry F. ; Šponer, Jiří ; Turney, Justin M. ; Wang, Lee-Ping ; De Silva, Nuwan ; King, Rollin A. ; Stanton, John F. ; Gordon, Mark S. ; Windus, Theresa L. ; Sherrill, C. David ; Burns, Lori A.The Journal of chemical physics, 2021-11, Vol.155 (20), p.204801-204801 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
8 |
Material Type: Livro
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The Variation Method in Quantum ChemistrySaul Theodore EpsteinElsevier 1974Acesso online. A biblioteca também possui exemplares impressos. |
9 |
Material Type: Artigo
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Magnetic topological quantum chemistryElcoro, Luis ; Wieder, Benjamin J. ; Song, Zhida ; Xu, Yuanfeng ; Bradlyn, Barry ; Bernevig, B. AndreiNature communications, 2021-10, Vol.12 (1), p.5965-5965, Article 5965 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
10 |
Material Type: Artigo
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The Molpro quantum chemistry packageWerner, Hans-Joachim ; Knowles, Peter J. ; Manby, Frederick R. ; Black, Joshua A. ; Doll, Klaus ; Heßelmann, Andreas ; Kats, Daniel ; Köhn, Andreas ; Korona, Tatiana ; Kreplin, David A. ; Ma, Qianli ; Miller, Thomas F. ; Mitrushchenkov, Alexander ; Peterson, Kirk A. ; Polyak, Iakov ; Rauhut, Guntram ; Sibaev, MaratThe Journal of chemical physics, 2020-04, Vol.152 (14), p.144107-144107 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |