Computational chemistry

Results: 1931



#Item
331Fluid mechanics / Computational fluid dynamics / Fluid dynamics / Colloidal chemistry / Aerosol science / OpenFOAM / Air filter / Filtration / Brownian motion / Chemistry / Science / Filters

Development and validation of a Computational Fluid Dynamics (CFD) solver for droplet-fibre systems

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Source URL: www.mssanz.org.au

Language: English - Date: 2013-01-15 22:41:39
332Chemical engineering / Graphene / Carbon nanotube / Carbon capture and storage / Carbon dioxide / Crystal / Chemistry / Emerging technologies / Nanomaterials

ARTICLE pubs.acs.org/JPCC Calcium-Based Functionalization of Carbon Materials for CO2 Capture: A First-Principles Computational Study C. Cazorla,†,‡,§ S. A. Shevlin,‡,§ and Z. X. Guo*,‡,§

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Source URL: www.claudiocazorla.com

Language: English - Date: 2011-06-04 07:58:50
333Bosons / Phase transitions / Computational chemistry / Molecular dynamics / Molecular modelling / Crystal structure / Phonon / Periodic boundary conditions / Ice / Chemistry / Physics / Condensed matter physics

Supporting Material for: Superionicity and Polymorphism in Calcium Fluoride at High Pressure Claudio Cazorla∗ School of Materials Science and Engineering, University of New South Wales, Sydney NSW 2052, Australia Danie

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Source URL: www.claudiocazorla.com

Language: English - Date: 2014-12-05 05:57:57
334Cheminformatics / Computational chemistry / Medicinal chemistry / Quantitative structure–activity relationship / In silico / Toxicology / Research / Food and Environment Research Agency / Science / Pharmacology / Chemistry

Microsoft Word - OpenTox flyer 5.doc

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Source URL: cacheresearch.com

Language: English - Date: 2010-12-13 21:28:21
335Physics / Computational fluid dynamics / Gas / Riser / Viscosity / Chemistry / Science / Chemical engineering / Fluid dynamics / Fluidized bed

CFD simulations of gas-solid flows in a CFB riser: Effect of inlet boundary conditions

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Source URL: www.mssanz.org.au

Language: English - Date: 2013-01-15 22:42:25
336Theoretical chemistry / Mineral / Chemistry / Computational chemistry / Ab initio quantum chemistry methods

Goldschmidt 2000 September 3rd–8th, 2000 Oxford, UK. Journal of Conference Abstracts Volume 5(2), 138

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Source URL: www.the-conference.com

Language: English - Date: 2009-11-05 06:12:03
337Computational linguistics / Natural language processing / Data mining / Computational chemistry / Cybernetics / Named-entity recognition / Information extraction / Conditional random field / Chemistry / Science / Knowledge / Information science

Tang et al. Journal of Cheminformatics 2015, 7(Suppl 1):S8 http://www.jcheminf.com/content/7/S1/S8 RESEARCH Open Access

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Source URL: www.jcheminf.com

Language: English
338Solutions / Organofluorides / Chemical engineering / Fluorocarbon / Solubility / Ionic liquid / David Gallagher / Environmental remediation / Computational chemistry / Chemistry / Gases / Pressure

Microsoft PowerPoint - AIChE 2008 Environment talk.ppt

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Source URL: www.cacheresearch.com

Language: English - Date: 2008-04-10 22:31:10
339Science / Outline of physical science / Chemistry / Knowledge / Temple University College of Science and Technology / Molecular design software / Fellows of the Royal Society / Alumni of the University of Bristol / Michael L. Klein

Computer Simulation in the Physical & Life Sciences: From Chemistry to Materials & the Nano-Bio-Med Frontier Frontiers in Computational and Information Sciences Seminar Series Presented by…

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Source URL: computerlectures.pnnl.gov

Language: English - Date: 2012-05-17 16:34:18
340Protein structure / Computational chemistry / Molecular modelling / Bioinformatics / Folding@home / Protein folding / Molecular dynamics / Genome@home / Grid computing / Chemistry / Software / Science

Base One International Corporation 44 East 12th Street New York, NY2544 www.boic.com

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Source URL: www.boic.com

Language: English - Date: 2012-03-11 09:48:04
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