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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
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 |
| 2 |
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 |
| 3 |
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 |
| 4 |
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 |
| 5 |
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 |
| 6 |
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 |
| 7 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Simulations Show Saccharide Distortion is Required for Reaction in Hen Egg‐White LysozymeLimb, Michael A. L. ; Suardíaz, Reynier ; Grant, Ian M. ; Mulholland, Adrian J.Chemistry : a European journal, 2019-01, Vol.25 (3), p.764-768 [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
| 8 |
Material Type: Artigo
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Thermodynamically consistent data-driven computational mechanicsGonzález, David ; Chinesta, Francisco ; Cueto, ElíasContinuum mechanics and thermodynamics, 2019-01, Vol.31 (1), p.239-253 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
| 9 |
Material Type: Artigo
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Mechanics of adsorption–deformation coupling in porous mediaZhang, YidaJournal of the mechanics and physics of solids, 2018-05, Vol.114, p.31-54 [Periódico revisado por pares]London: Elsevier LtdTexto completo disponível |
| 10 |
Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Studies of the Mechanism of Cysteine Proteases Inhibition by Dipeptidyl NitroalkenesArafet, Kemel ; González, Florenci V. ; Moliner, VicentChemistry : a European journal, 2020-02, Vol.26 (9), p.2002-2012 [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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