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Academic Journal

Comparative DFT study of methanol decomposition on Mo 2 C(001) and Mo 2 C(101) surfaces.

  • Authors : Shi Y; School of Chemistry & Chemical Engineering, Linyi University, Linyi, 276000, China. .

Subjects: Methanol*/Methanol*/Methanol*/chemistry; Computer Simulation

  • Source: Journal of molecular modeling [J Mol Model] 2023 Jul 06; Vol. 29 (8), pp. 233. Date of Electronic Publication: 2023 Jul 06.Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023

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Academic Journal

Employing computational fluid dynamics technique for analyzing the PACK-1300XY with methanol and isopropanol mixture.

  • Authors : Cao Y; School of Mechatronic Engineering, Xi'an Technological University, Xi'an, 710021, China.; Dhahad HA

Subjects: Hydrodynamics* ; Methanol*/Methanol*/Methanol*/analysis; 2-Propanol/2-Propanol/2-Propanol/analysis

  • Source: Scientific reports [Sci Rep] 2022 Apr 21; Vol. 12 (1), pp. 6588. Date of Electronic Publication: 2022 Apr 21.Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

Kinetic Modeling of API Oxidation: (1) The AIBN/H 2 O/CH 3 OH Radical "Soup".

  • Authors : Grinberg Dana A; Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, United States.; Wolfson Department of Chemical Engineering, Technion, Israel Institute of Technology, Haifa 3200003, Israel.

Subjects: Models, Chemical*; Methanol/Methanol/Methanol/*chemistry ; Nitriles/Nitriles/Nitriles/*chemistry

  • Source: Molecular pharmaceutics [Mol Pharm] 2021 Aug 02; Vol. 18 (8), pp. 3037-3049. Date of Electronic Publication: 2021 Jul 08.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101197791 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Efficient Production of Light Olefin Based on Methanol Dehydration: Simulation and Design Improvement.

  • Authors : Kianinia M; Chemical Engineering Faculty, Sahand University of Technology, P.O. Box 51335-1996, Sahand New Town, Tabriz, Iran.; Abdoli SM

Subjects: Alkenes/Alkenes/Alkenes/*chemical synthesis ; Ethylenes/Ethylenes/Ethylenes/*chemical synthesis ; Methanol/Methanol/Methanol/*chemistry

  • Source: Combinatorial chemistry & high throughput screening [Comb Chem High Throughput Screen] 2021; Vol. 24 (4), pp. 581-586.Publisher: Bentham Science Publishers Country of Publication: United Arab Emirates NLM ID: 9810948 Publication Model: Print Cited Medium: Internet

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Academic Journal

CFD Modeling of Methanol to Light Olefins in a Sodalite Membrane Reactor using SAPO-34 Catalyst with In Situ Steam Removal.

Subjects: Alkenes/Alkenes/Alkenes/*chemical synthesis ; Ethylenes/Ethylenes/Ethylenes/*chemical synthesis ; Methanol/Methanol/Methanol/*chemistry

  • Source: Combinatorial chemistry & high throughput screening [Comb Chem High Throughput Screen] 2021; Vol. 24 (4), pp. 559-569.Publisher: Bentham Science Publishers Country of Publication: United Arab Emirates NLM ID: 9810948 Publication Model: Print Cited Medium: Internet

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Academic Journal

Genetic Parameterization of Interfacial Force Fields Based on Classical Bulk Force Fields and Ab Initio Data: Application to the Methanol-ZnO Interfaces.

  • Authors : Valadez Huerta G; Institut für Thermodynamik, Technische Universität Braunschweig, Hans-Sommer-Straße 5, D-38106 Braunschweig, Germany.; Raabe G

Subjects: Methanol* ; Zinc Oxide*; Computer Simulation

  • Source: Journal of chemical information and modeling [J Chem Inf Model] 2020 Dec 28; Vol. 60 (12), pp. 6033-6043. Date of Electronic Publication: 2020 Nov 02.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method.

  • Authors : Hens R; Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Leeghwaterstraat 39, 2628CB Delft, The Netherlands.; Rahbari A

Subjects: Methanol* ; Software*; Computer Simulation

  • Source: Journal of chemical information and modeling [J Chem Inf Model] 2020 Jun 22; Vol. 60 (6), pp. 2678-2682. Date of Electronic Publication: 2020 Apr 21.Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet

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Academic Journal

Methanol-essential growth of Escherichia coli.

  • Authors : Meyer F; Institute of Microbiology, Department of Biology, ETH Zurich, Zurich, 8093, Switzerland.; Keller P

Subjects: Metabolic Engineering*; Bacterial Proteins/Bacterial Proteins/Bacterial Proteins/*genetics ; Escherichia coli/Escherichia coli/Escherichia coli/*physiology

  • Source: Nature communications [Nat Commun] 2018 Apr 17; Vol. 9 (1), pp. 1508. Date of Electronic Publication: 2018 Apr 17.Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN:

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Academic Journal

A qualitative method for prediction of amine oxidation in methanol and water.

  • Authors : Bäcktorp C; Pharmaceutical Development, AstraZeneca R&D Mölndal, Mölndal, S-431 83, Sweden.; Örnskov E

Subjects: Computer Simulation* ; Models, Chemical*; Amines/Amines/Amines/*chemistry

  • Source: Journal of pharmaceutical sciences [J Pharm Sci] 2015 Apr; Vol. 104 (4), pp. 1409-20. Date of Electronic Publication: 2015 Feb 24.Publisher: Elsevier Country of Publication: United States NLM ID: 2985195R Publication Model: Print-Electronic Cited Medium: Internet ISSN:

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Academic Journal

Molecular modeling in dioxane methanol interaction.

  • Authors : Sharma D; Centre of Studies in Surface Science and Technology School of Chemistry, Sambalpur University, Jyoti Vihar, 768019, India.; Sahoo S

Subjects: Computer Simulation* ; Models, Molecular*; Dioxanes/Dioxanes/Dioxanes/*chemistry

  • Source: Journal of molecular modeling [J Mol Model] 2014 Sep; Vol. 20 (9), pp. 2408. Date of Electronic Publication: 2014 Aug 16.Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 0948-5023

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  • 1-10 of  448 results for ""COMPUTER simulation""