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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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| 1 |
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 |
| 2 |
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 |
| 3 |
Material Type: Artigo
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From quantum chaos and eigenstate thermalization to statistical mechanics and thermodynamicsD'Alessio, Luca ; Kafri, Yariv ; Polkovnikov, Anatoli ; Rigol, MarcosAdvances in physics, 2016-05, Vol.65 (3), p.239-362 [Periódico revisado por pares]Abingdon: Taylor & FrancisTexto completo disponível |
| 4 |
Material Type: Artigo
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A unified phase-field theory for the mechanics of damage and quasi-brittle failureWu, Jian-YingJournal of the mechanics and physics of solids, 2017-06, Vol.103, p.72-99 [Periódico revisado por pares]London: Elsevier LtdTexto completo disponível |
| 5 |
Material Type: Artigo
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Calculations of Solvation Free Energy through Energy Reweighting from Molecular Mechanics to Quantum MechanicsJia, Xiangyu ; Wang, Meiting ; Shao, Yihan ; König, Gerhard ; Brooks, Bernard R ; Zhang, John Z. H ; Mei, YeJournal of chemical theory and computation, 2016-02, Vol.12 (2), p.499-511 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 6 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Calculation of the Raman Spectra of the Phycocyanobilin Chromophore in α-C-PhycocyaninMroginski, Maria Andrea ; Mark, Franz ; Thiel, Walter ; Hildebrandt, PeterBiophysical journal, 2007-09, Vol.93 (6), p.1885-1894 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
| 7 |
Material Type: Artigo
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Chemically Responsive Hydrogel Deformation Mechanics: A ReviewFennell, Eanna ; Huyghe, Jacques MMolecules (Basel, Switzerland), 2019-09, Vol.24 (19), p.3521 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
| 8 |
Material Type: Artigo
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Molecular Mechanics of Disordered SolidsBamer, Franz ; Ebrahem, Firaz ; Markert, Bernd ; Stamm, BenjaminArchives of computational methods in engineering, 2023-04, Vol.30 (3), p.2105-2180 [Periódico revisado por pares]Dordrecht: Springer NetherlandsTexto completo disponível |
| 9 |
Material Type: Artigo
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A coupled model of transport-reaction-mechanics with trapping. Part I – Small strain analysisSalvadori, A. ; McMeeking, R. ; Grazioli, D. ; Magri, M.Journal of the mechanics and physics of solids, 2018-05, Vol.114, p.1-30 [Periódico revisado por pares]London: Elsevier LtdTexto completo disponível |
| 10 |
Material Type: Artigo
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Biaxial mechanics of thermally denaturing skin - Part 2: ModelingRausch, Manuel ; Meador, William D. ; Toaquiza-Tubon, John ; Moreno-Flores, Omar ; Tepole, Adrian BuganzaActa biomaterialia, 2022-03, Vol.140, p.421-433 [Periódico revisado por pares]England: Elsevier LtdTexto completo disponível |
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