Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Material Type: Artigo
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Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of moleculesBerland, Kristian ; Jiao, Yang ; Lee, Jung-Hoon ; Rangel, Tonatiuh ; Neaton, Jeffrey B. ; Hyldgaard, PerThe Journal of chemical physics, 2017-06, Vol.146 (23), p.234106-234106 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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2 |
Material Type: Artigo
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An Embedded Fragment Method for Molecules in Strong Magnetic FieldsSpeake, Benjamin T. ; Irons, Tom J. P. ; Wibowo, Meilani ; Johnson, Andrew G. ; David, Grégoire ; Teale, Andrew M.Journal of chemical theory and computation, 2022-12, Vol.18 (12), p.7412-7427 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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The discovery of hydrogen bonds in DNA and a re-evaluation of the 1948 Creeth two-chain model for its structureHarding, Stephen E ; Channell, Guy ; Phillips-Jones, Mary KBiochemical Society transactions, 2018-10, Vol.46 (5), p.1171-1182 [Periódico revisado por pares]England: Portland PressTexto completo disponível |
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4 |
Material Type: Artigo
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Specificity of Escherichia coli Heat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and CrystallographyHeggelund, Julie Elisabeth ; Heim, Joel Benjamin ; Bajc, Gregor ; Hodnik, Vesna ; Anderluh, Gregor ; Krengel, UteInternational journal of molecular sciences, 2019-02, Vol.20 (3), p.703 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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5 |
Material Type: Artigo
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Stability and Solid Solutions of Hydrous Alumino-Silicates in the Earth’s MantlePanero, Wendy R. ; Caracas, RazvanMinerals (Basel), 2020-04, Vol.10 (4), p.330 [Periódico revisado por pares]Basel: MDPI AGTexto completo disponível |
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6 |
Material Type: Artigo
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Spectroscopic studies of the iron and manganese reconstituted tyrosyl radical in Bacillus cereus ribonucleotide reductase R2 proteinTomter, Ane B ; Zoppellaro, Giorgio ; Bell, 3rd, Caleb B ; Barra, Anne-Laure ; Andersen, Niels H ; Solomon, Edward I ; Andersson, K Kristoffer Croft, Anna KristinaPloS one, 2012-03, Vol.7 (3), p.e33436-e33436 [Periódico revisado por pares]United States: Public Library of ScienceTexto completo disponível |
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7 |
Material Type: Artigo
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Tuning of thioredoxin redox properties by intramolecular hydrogen bondsRøhr, Åsmund Kjendseth ; Hammerstad, Marta ; Andersson, K Kristoffer Salsbury, FreddiePloS one, 2013-07, Vol.8 (7), p.e69411-e69411 [Periódico revisado por pares]United States: Public Library of ScienceTexto completo disponível |
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8 |
Material Type: Artigo
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Symmetry of three-center, four-electron bondsReiersølmoen, Ann Christin ; Battaglia, Stefano ; Øien-Ødegaard, Sigurd ; Gupta, Arvind Kumar ; Fiksdahl, Anne ; Lindh, Roland ; Erdélyi, MátéChemical science (Cambridge), 2020, Vol.11 (3), p.7979-799 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |