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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Fluid Mechanics and Thermodynamics of Turbomachinery (6th Edition)Dixon, S Larry ; Hall, CesareSan Diego: Elsevier 2010Texto completo disponível |
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2 |
Material Type: Livro
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introduction to thermodynamics and statistical mechanicsKeith S. StoweLeiden Cambridge University Press 2007Acesso online. A biblioteca também possui exemplares impressos. |
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3 |
Material Type: Artigo
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Solvation Free Energy Calculations with Quantum Mechanics/Molecular Mechanics and Machine Learning ModelsZhang, Pan ; Shen, Lin ; Yang, WeitaoThe journal of physical chemistry. B, 2019-01, Vol.123 (4), p.901-908 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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Statistical mechanics of glassMauro, John C. ; Smedskjaer, Morten M.Journal of non-crystalline solids, 2014-08, Vol.396-397, p.41-53 [Periódico revisado por pares]Oxford: Elsevier B.VTexto completo disponível |
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5 |
Material Type: Artigo
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Colloquium : Statistical mechanics and thermodynamics at strong coupling: Quantum and classicalTalkner, Peter ; Hänggi, PeterReviews of modern physics, 2020-10, Vol.92 (4), p.1, Article 041002 [Periódico revisado por pares]College Park: American Institute of PhysicsTexto completo disponível |
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6 |
Material Type: Artigo
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First-Principles Statistical Mechanics of Multicomponent CrystalsVan der Ven, A ; Thomas, J.C ; Puchala, B ; Natarajan, A.RAnnual review of materials research, 2018-07, Vol.48 (1), p.27-55 [Periódico revisado por pares]Annual ReviewsTexto completo disponível |
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7 |
Material Type: Artigo
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Continuum mechanics with torsionPeshkov, Ilya ; Romenski, Evgeniy ; Dumbser, MichaelContinuum mechanics and thermodynamics, 2019-09, Vol.31 (5), p.1517-1541 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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8 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Modeling of Photoelectron Spectra: The Carbon 1s Core–Electron Binding Energies of Ethanol–Water SolutionsLöytynoja, T ; Niskanen, J ; Jänkälä, K ; Vahtras, O ; Rinkevicius, Z ; Ågren, HThe journal of physical chemistry. B, 2014-11, Vol.118 (46), p.13217-13225 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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9 |
Material Type: Artigo
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ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in SolutionTian, Chuan ; Kasavajhala, Koushik ; Belfon, Kellon A. A ; Raguette, Lauren ; Huang, He ; Migues, Angela N ; Bickel, John ; Wang, Yuzhang ; Pincay, Jorge ; Wu, Qin ; Simmerling, CarlosJournal of chemical theory and computation, 2020-01, Vol.16 (1), p.528-552 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic SimulationsArdèvol, Albert ; Rovira, CarmeJournal of the American Chemical Society, 2015-06, Vol.137 (24), p.7528-7547 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |