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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Realistic molecular model of kerogen's nanostructureBousige, Colin ; Ghimbeu, Camélia Matei ; Vix-Guterl, Cathie ; Pomerantz, Andrew E ; Suleimenova, Assiya ; Vaughan, Gavin ; Garbarino, Gaston ; Feygenson, Mikhail ; Wildgruber, Christoph ; Ulm, Franz-Josef ; Pellenq, Roland J-M ; Coasne, BenoitNature materials, 2016-05, Vol.15 (5), p.576-582 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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2 |
Material Type: Artigo
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The utility of coal molecular modelsMathews, Jonathan P. ; van Duin, Adri C.T. ; Chaffee, Alan L.Fuel processing technology, 2011-04, Vol.92 (4), p.718-728 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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3 |
Material Type: Artigo
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Virial Coefficients of Helium‑4 from Ab Initio-Based Molecular ModelsSchultz, Andrew J ; Kofke, David AJournal of chemical and engineering data, 2019-09, Vol.64 (9), p.3742-3754 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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Molecular Dynamics Simulation of Diffusion and O 2 Dissolution in Water Using Four Water Molecular ModelsFan, Linhao ; Wang, Yun ; Jiao, KuiJournal of the Electrochemical Society, 2021-03, Vol.168 (3), p.34520 [Periódico revisado por pares]Texto completo disponível |
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5 |
Material Type: Artigo
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Atomic-scale molecular models of oxidized activated carbon fibre nanoregions: Examining the effects of oxygen functionalities on wet formaldehyde adsorptionKowalczyk, Piotr ; Gauden, Piotr A. ; Wiśniewski, Marek ; Terzyk, Artur P. ; Furmaniak, Sylwester ; Burian, Andrzej ; Kaneko, Katsumi ; Neimark, Alexander V.Carbon (New York), 2020-09, Vol.165, p.67-81 [Periódico revisado por pares]New York: Elsevier LtdTexto completo disponível |
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6 |
Material Type: Artigo
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The molecular model of Marcellus shale kerogen: Experimental characterization and structure reconstructionLiu, Yu ; Liu, Shimin ; Zhang, Rui ; Zhang, YuInternational journal of coal geology, 2021-10, Vol.246, p.103833, Article 103833 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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7 |
Material Type: Artigo
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Gecko Adhesion on Flat and Rough Surfaces: Simulations with a Multi‐Scale Molecular ModelMaterzok, Tobias ; De Boer, Danna ; Gorb, Stanislav ; Müller‐Plathe, FlorianSmall (Weinheim an der Bergstrasse, Germany), 2022-09, Vol.18 (35), p.e2201674-n/a [Periódico revisado por pares]Weinheim: Wiley Subscription Services, IncTexto completo disponível |
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8 |
Material Type: Artigo
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Chemical Analysis and Molecular Models for Calcium–Oxygen–Carbon Interactions in Black Carbon Found in Fertile Amazonian AnthrosoilsArchanjo, Braulio S ; Araujo, Joyce R ; Silva, Alexander M ; Capaz, Rodrigo B ; Falcão, Newton P. S ; Jorio, Ado ; Achete, Carlos AEnvironmental science & technology, 2014-07, Vol.48 (13), p.7445-7452 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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9 |
Material Type: Artigo
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Catalogue of Plausible Molecular Models for the Molecular Dynamics of Asphaltenes and Resins Obtained from Quantitative Molecular RepresentationLaw, Jason C ; Headen, Thomas F ; Jiménez-Serratos, Guadalupe ; Boek, Edo S ; Murgich, Juan ; Müller, Erich AEnergy & fuels, 2019-10, Vol.33 (10), p.9779-9795 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Comprehensive Computational Analysis of the Polymorph-Dependent Chromism of N‑Salicylideneaniline Using a Cluster Model of Molecular CrystalsKoibuchi, Ryo ; Yoshikawa, Isao ; Shigemitsu, Yasuhiro ; Houjou, HirohikoCrystal growth & design, 2024-01, Vol.24 (1), p.238-251 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |