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Material Type: Artigo
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Recent trend in the physical and chemical modification of starches from different botanical sources: A reviewAshogbon, Adeleke Omodunbi ; Akintayo, Emmanuel TemitopeStarch - Stärke, 2014-01, Vol.66 (1-2), p.41-57 [Periódico revisado por pares]Weinheim: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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CRYSTAL14: A program for the ab initio investigation of crystalline solidsDovesi, Roberto ; Orlando, Roberto ; Erba, Alessandro ; Zicovich-Wilson, Claudio M. ; Civalleri, Bartolomeo ; Casassa, Silvia ; Maschio, Lorenzo ; Ferrabone, Matteo ; De La Pierre, Marco ; D'Arco, Philippe ; Noël, Yves ; Causà, Mauro ; Rérat, Michel ; Kirtman, BernardInternational journal of quantum chemistry, 2014-10, Vol.114 (19), p.1287-1317 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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Production, structure, physicochemical and functional properties of maize, cassava, wheat, potato and rice starchesWaterschoot, Jasmien ; Gomand, Sara V. ; Fierens, Ellen ; Delcour, Jan A.Starch - Stärke, 2015-01, Vol.67 (1-2), p.14-29 [Periódico revisado por pares]Weinheim: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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Gaussian approximation potentials: A brief tutorial introductionBartok, Albert P ; Csanyi, GáborInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1051-1057 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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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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Material Type: Artigo
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Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciencesBochevarov, Art D. ; Harder, Edward ; Hughes, Thomas F. ; Greenwood, Jeremy R. ; Braden, Dale A. ; Philipp, Dean M. ; Rinaldo, David ; Halls, Mathew D. ; Zhang, Jing ; Friesner, Richard A.International journal of quantum chemistry, 2013-09, Vol.113 (18), p.2110-2142 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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Crystal structure representations for machine learning models of formation energiesFaber, Felix ; Lindmaa, Alexander ; von Lilienfeld, O. Anatole ; Armiento, RickardInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1094-1101 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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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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Material Type: Artigo
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Tensor product methods and entanglement optimization for ab initio quantum chemistrySzalay, Szilárd ; Pfeffer, Max ; Murg, Valentin ; Barcza, Gergely ; Verstraete, Frank ; Schneider, Reinhold ; Legeza, ÖrsInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1342-1391 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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Adaptive machine learning framework to accelerate ab initio molecular dynamicsBotu, Venkatesh ; Ramprasad, RampiInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1074-1083 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |