Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Livro
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Spectral Methods in Chemistry and Physics: Applications to Kinetic Theory and Quantum MechanicsShizgal, BernardDordrecht: Springer Nature 2015Texto completo disponível |
2 |
Material Type: Artigo
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Molybdenum Disulfide Quantum Dots as a Photoluminescence Sensing Platform for 2,4,6-Trinitrophenol DetectionWang, Yong ; Ni, YongnianAnalytical chemistry (Washington), 2014-08, Vol.86 (15), p.7463-7470 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
3 |
Material Type: Artigo
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Theoretical insights into single-atom catalystsLi, Lulu ; Chang, Xin ; Lin, Xiaoyun ; Zhao, Zhi-Jian ; Gong, JinlongChemical Society reviews, 2020-11, Vol.49 (22), p.8156-8178 [Periódico revisado por pares]London: Royal Society of ChemistryTexto completo disponível |
4 |
Material Type: Artigo
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End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug DesignWang, Ercheng ; Sun, Huiyong ; Wang, Junmei ; Wang, Zhe ; Liu, Hui ; Zhang, John Z. H ; Hou, TingjunChemical reviews, 2019-08, Vol.119 (16), p.9478-9508 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
5 |
Material Type: Artigo
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Near infrared spectroscopy: A mature analytical technique with new perspectives – A reviewPasquini, CelioAnalytica chimica acta, 2018-10, Vol.1026, p.8-36 [Periódico revisado por pares]Netherlands: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov ModelsScherer, Martin K ; Trendelkamp-Schroer, Benjamin ; Paul, Fabian ; Pérez-Hernández, Guillermo ; Hoffmann, Moritz ; Plattner, Nuria ; Wehmeyer, Christoph ; Prinz, Jan-Hendrik ; Noé, FrankJournal of chemical theory and computation, 2015-11, Vol.11 (11), p.5525-5542 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
7 |
Material Type: Artigo
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Automatic Generation of Auxiliary Basis SetsStoychev, Georgi L ; Auer, Alexander A ; Neese, FrankJournal of chemical theory and computation, 2017-02, Vol.13 (2), p.554-562 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
8 |
Material Type: Artigo
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New Technologies for Analysis of Extracellular VesiclesShao, Huilin ; Im, Hyungsoon ; Castro, Cesar M ; Breakefield, Xandra ; Weissleder, Ralph ; Lee, HakhoChemical reviews, 2018-02, Vol.118 (4), p.1917-1950 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Machine Learning for Electronically Excited States of MoleculesWestermayr, Julia ; Marquetand, PhilippChemical reviews, 2021-08, Vol.121 (16), p.9873-9926 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
10 |
Material Type: Artigo
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Catalytic test reactions for the evaluation of hierarchical zeolitesHartmann, Martin ; Machoke, Albert Gonche ; Schwieger, WilhelmChemical Society reviews, 2016-06, Vol.45 (12), p.3313-333 [Periódico revisado por pares]EnglandTexto completo disponível |