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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High-throughput methods using composition and structure spread librariesKitchin, John R. ; Gellman, Andrew J.AIChE journal, 2016-11, Vol.62 (11), p.3826-3835 [Periódico revisado por pares]United States: Blackwell Publishing LtdTexto completo disponível |
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2 |
Material Type: Artigo
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Uncertainty quantification in machine learning and nonlinear least squares regression modelsZhan, Ni ; Kitchin, John R.AIChE journal, 2022-06, Vol.68 (6), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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3 |
Material Type: Artigo
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An inverse mapping approach for process systems engineering using automatic differentiation and the implicit function theoremAlves, Victor ; Kitchin, John R. ; Lima, Fernando V.AIChE journal, 2023-09, Vol.69 (9), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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4 |
Material Type: Artigo
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Acceleration of catalyst discovery with easy, fast, and reproducible computational alchemyGriego, Charles D. ; Kitchin, John R. ; Keith, John A.International journal of quantum chemistry, 2021-01, Vol.121 (1), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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5 |
Material Type: Artigo
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Evaluation of the degree of rate control via automatic differentiationYang, Yilin ; Achar, Siddarth K. ; Kitchin, John R.AIChE journal, 2022-06, Vol.68 (6), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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6 |
Material Type: Artigo
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CO2 Adsorption on Supported Molecular Amidine Systems on Activated CarbonAlesi Jr, W. Richard ; Gray, McMahan ; Kitchin, John R.ChemSusChem, 2010-01, Vol.3 (8), p.948-956 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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7 |
Material Type: Artigo
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Neural network and ReaxFF comparison for Au propertiesBoes, Jacob R. ; Groenenboom, Mitchell C. ; Keith, John A. ; Kitchin, John R.International journal of quantum chemistry, 2016-07, Vol.116 (13), p.979-987 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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8 |
Material Type: Artigo
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Property prediction of crystalline solids from composition and crystal structureCalfa, Bruno A. ; Kitchin, John R.AIChE journal, 2016-08, Vol.62 (8), p.2605-2613 [Periódico revisado por pares]New York: Blackwell Publishing LtdTexto completo disponível |
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9 |
Material Type: Artigo
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Structure and Relative Thermal Stability of Mesoporous (La,Sr)MnO3 Powders Prepared Using Evaporation-Induced Self-Assembly MethodsChao, Robin ; Munprom, Ratiporn ; Petrova, Rumyana ; Gerdes, Kirk ; Kitchin, John R. ; Salvador, Paul A. Stevenson, J.Journal of the American Ceramic Society, 2012-07, Vol.95 (7), p.2339-2346 [Periódico revisado por pares]Blackwell Publishing LtdTexto completo disponível |
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10 |
Material Type: Artigo
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Unfolding mapping practices: a new epistemology for cartographyKitchin, Rob ; Gleeson, Justin ; Dodge, MartinTransactions - Institute of British Geographers (1965), 2013-07, Vol.38 (3), p.480-496 [Periódico revisado por pares]Oxford, UK: Blackwell Publishing LtdTexto completo disponível |