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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Exploring the surface morphology of developing wheat starch granules by using Atomic Force MicroscopyWaduge, Renuka N ; Xu, Song ; Bertoft, Eric ; Seetharaman, KoushikDie Stärke, 2013-05, Vol.65 (5), p.398-409 [Periódico revisado por pares]Weinheim: WILEY‐VCH VerlagTexto completo disponível |
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2 |
Material Type: Artigo
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Structure‐function relationships of starch componentsVamadevan, Varatharajan ; Bertoft, EricDie Stärke, 2015-01, Vol.67 (1-2), p.55-68 [Periódico revisado por pares]Weinheim: Verlag ChemieTexto completo disponível |
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3 |
Material Type: Artigo
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MODYLAS: A highly parallelized general-purpose molecular dynamics simulation programYoshii, Noriyuki ; Andoh, Yoshimichi ; Fujimoto, Kazushi ; Kojima, Hidekazu ; Yamada, Atsushi ; Okazaki, SusumuInternational journal of quantum chemistry, 2015-03, Vol.115 (5), p.342-348 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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4 |
Material Type: Artigo
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Global optimization of clusters using electronic structure methodsHeiles, Sven ; Johnston, Roy L.International journal of quantum chemistry, 2013-09, Vol.113 (18), p.2091-2109 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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5 |
Material Type: Artigo
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Comparative study of diradical characters and third-order nonlinear optical properties of linear/cyclic acenes versus phenylenesMuhammad, Shabbir ; Minami, Takuya ; Fukui, Hitoshi ; Yoneda, Kyohei ; Minamide, Shu ; Kishi, Ryohei ; Shigeta, Yasuteru ; Nakano, MasayoshiInternational journal of quantum chemistry, 2013-02, Vol.113 (4), p.592-598 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
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6 |
Material Type: Artigo
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QCTFF: On the construction of a novel protein force fieldPopelier, Paul L. A.International journal of quantum chemistry, 2015-08, Vol.115 (16), p.1005-1011 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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7 |
Material Type: Artigo
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Constructing high-dimensional neural network potentials: A tutorial reviewBehler, JörgInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1032-1050 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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8 |
Material Type: Artigo
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Neural network-based approaches for building high dimensional and quantum dynamics-friendly potential energy surfacesManzhos, Sergei ; Dawes, Richard ; Carrington, TuckerInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1012-1020 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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9 |
Material Type: Artigo
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A framework for machine-learning-augmented multiscale atomistic simulations on parallel supercomputersCaccin, Marco ; Li, Zhenwei ; Kermode, James R. ; De Vita, AlessandroInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1129-1139 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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10 |
Material Type: Artigo
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Massively parallel MP2-F12 calculations on the K computerOhnishi, Yu-ya ; Ishimura, Kazuya ; Ten-no, SeiichiroInternational journal of quantum chemistry, 2015-03, Vol.115 (5), p.333-341 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |