المؤلفون: Abida Sultana, Jintana Meesungnoen, Jean-Paul Jay-Gerin

المصدر: Radiation, Vol 4, Iss 1, Pp 26-36 (2024)

مصطلحات موضوعية: sub- and supercritical water radiolysis, radiation dose rate, acidity (pH), Monte Carlo multi-track chemistry simulation, in-core chemistry of a supercritical water-cooled small modular reactor, corrosion, Medical physics. Medical radiology. Nuclear medicine, R895-920

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-592X/4/1/3; https://doaj.org/toc/2673-592X

URL الوصول: https://doaj.org/article/cda8968b2df24023b2896310427a2afb

المؤلفون: Md Ibrahim Bepari, Jintana Meesungnoen, Jean-Paul Jay-Gerin

المصدر: Radiation, Vol 3, Iss 3, Pp 165-182 (2023)

مصطلحات موضوعية: water radiolysis, radiation dose rate, linear energy transfer (LET), acidity (pH), Monte Carlo multitrack chemistry simulation, radiation chemical yield (G value), Medical physics. Medical radiology. Nuclear medicine, R895-920

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2673-592X/3/3/14; https://doaj.org/toc/2673-592X

URL الوصول: https://doaj.org/article/f2426c9486da4fc59251e576c7994175

المؤلفون: Md Shakhawat Hossen Bhuiyan, Jintana Meesungnoen, Abida Sultana, Jean-Paul Jay-Gerin

المصدر: Applied Sciences, Vol 14, Iss 16, p 7024 (2024)

مصطلحات موضوعية: sub- and supercritical water, fast neutrons and recoil protons, radiolysis, Monte Carlo track chemistry simulation, radiolytic yield (G value), in-core chemistry of a Generation IV supercritical water-cooled small modular reactor, Technology, Engineering (General). Civil engineering (General), TA1-2040, Biology (General), QH301-705.5, Physics, QC1-999, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2076-3417/14/16/7024; https://doaj.org/toc/2076-3417

URL الوصول: https://doaj.org/article/b9dc179185804662a83b1bf019d7fcc1

المؤلفون: Dheeraj Kumar

المصدر: International Education and Research Journal (IERJ); Vol. 10 No. 5 (2024): MAY ISSUE, INTERNATIONAL EDUCATION AND RESEARCH JOURNAL ; 2454-9916

مصطلحات موضوعية: PhET Simulation, NEP-2020, Interactive Simulation, Physics Simulation, Biology Simulation, Chemistry Simulation

وصف الملف: application/pdf

Relation: http://ierj.in/journal/index.php/ierj/article/view/3498/3947; http://ierj.in/journal/index.php/ierj/article/view/3498

الاتاحة: http://ierj.in/journal/index.php/ierj/article/view/3498

المؤلفون: Zhou, Yun, Wang, Minqiang, Wang, Junnan, Shi, Jindou, Zhang, Chen, Da, Zheyuan, Xu, Youlong, Ji, Yongqiang, Gaponenko, Nikolai V, Bhatti, Arshad Saleem

المصدر: Mikrochim Acta ; ISSN:1436-5073 ; Volume:192 ; Issue:1

مصطلحات موضوعية: Flow field simulation, Gel self-healing, Quantum chemistry simulation, Surface-enhanced Raman scattering

Relation: https://doi.org/10.1007/s00604-024-06918-9; https://pubmed.ncbi.nlm.nih.gov/39745540

الاتاحة: https://doi.org/10.1007/s00604-024-06918-9
https://pubmed.ncbi.nlm.nih.gov/39745540

المؤلفون: Samafou Penabeï, Jintana Meesungnoen, Jean-Paul Jay-Gerin

المصدر: Antioxidants; Volume 12; Issue 3; Pages: 776

مصطلحات موضوعية: cystamine, radioprotector, antioxidant, ferrous sulfate (Fricke) dosimeter, water radiolysis, dose rate, Monte Carlo multi-track chemistry simulation, radiation chemical yields ( G values), FLASH radiotherapy

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: https://dx.doi.org/10.3390/antiox12030776

الاتاحة: https://doi.org/10.3390/antiox12030776

المؤلفون: Wenfang Chen, Yaobin Zhang, Weiwei Shi, Yali Cui, Qiulan Zhang, Yakun Shi, Zexin Liang

المصدر: Applied Sciences; Volume 11; Issue 24; Pages: 11683

مصطلحات موضوعية: groundwater, hydrochemistry, hexavalent chromium contamination, water chemistry simulation

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Environmental Sciences; https://dx.doi.org/10.3390/app112411683

الاتاحة: https://doi.org/10.3390/app112411683

المصدر: Conference: 13. symposium on thermophysical properties, Boulder, CO (United States), 22-27 Jun 1997; Other Information: DN: Submitted to: Fluid Phase Equilibria, September 1997. [540 409900]; PBD: Sep 1997

وصف الملف: Medium: ED; Size: 19 p.

URL الوصول: http://www.osti.gov/scitech/servlets/purl/655247

المساهمون: Panagiotopoulos, A

المصدر: Other Information: PBD: 13 Feb 1999

وصف الملف: Medium: P; Size: 11 pages

URL الوصول: http://www.osti.gov/scitech/servlets/purl/764614

المؤلفون: Oliv, Marita, Matic-Flierl, Andrea, Lorenz, Jeanette Miriam

مصطلحات موضوعية: quantum noise, Variational Quantum Eigensolver, VQE, chemistry simulation

وصف الملف: application/pdf

Relation: Event "Bavarian Quantum Computing eXchange" 2022; QACI-K7; #PLACEHOLDER_PARENT_METADATA_VALUE#; https://publica.fraunhofer.de/handle/publica/445552; https://doi.org/10.24406/publica-1620

الاتاحة: https://publica.fraunhofer.de/handle/publica/445552
https://doi.org/10.24406/publica-1620

المؤلفون: Sabalot-Cuzzubbo, Julia

المساهمون: Sabalot, Julia

مصطلحات موضوعية: [CHIM.THEO] Chemical Sciences/Theoretical and/or physical chemistry, [CHIM.MATE] Chemical Sciences/Material chemistry, Theoretical Chemistry - Simulation - Electronic Structure - Symmetry - Curvature - Materials - Pyramidalization Angle - POAV - Helical Orbitals, Chimie Théorique - Modélisation - Structure Electronique - Symétrie - Courbure - Matériaux - Angle de Pyramidalisation - POAV - Orbitales Hélicoïdales, [CHIM] Chemical Sciences, [MATH] Mathematics [math]

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od_______166::69efd134095d07827727ce6d59e9f967
https://hal.science/tel-03919726

المؤلفون: Jean-François Doussin, Hendrik Fuchs, Astrid Kiendler-Scharr, Paul Seakins, John Wenger

Resource Type: eBook.

الموضوعات: Atmospheric chemistry--Simulation methods, Atmospheric science

Categories: SCIENCE / Earth Sciences / Meteorology & Climatology, MATHEMATICS / Probability & Statistics / General, SCIENCE / Chemistry / Physical & Theoretical

المساهمون: Knio, Omar [Department of Mechanical Engineering, The Johns Hopkins University, Baltimore, MD 21218-2686 (United States)]

المصدر: Combustion and Flame; 157; 2; Other Information: Elsevier Ltd. All rights reserved

وصف الملف: Medium: X; Size: page(s) 288-295

URL الوصول: http://www.osti.gov/scitech/biblio/21262167

المؤلفون: Μπράνη, Αικατερίνη

مصطلحات موضوعية: σοβαρό παιχνίδι, χημεία, serious game, chemistry, Chemistry--Study and teaching (Secondary) (URL: http://id.loc.gov/authorities/subjects/sh2008117657), Chemistry--Simulation methods

جغرافية الموضوع: Σύρος

وصف الملف: 128 σ.

Relation: https://vsmart.lib.aegean.gr/webopac/List.csp?SearchT1=%CE%BC%CF%80%CF%81%CE%B1%CE%BD%CE%B7&Index1=Keywordsbib&Database=1&SearchMethod=Find_1&SearchTerm1=%CE%BC%CF%80%CF%81%CE%B1%CE%BD%CE%B7&OpacLanguage=gre&Profile=Default&EncodedRequest=*DBft*F8*18*24*08*AF*B6E*5C*8B*1E*5Ey*92&EncodedQuery=*DBft*F8*18*24*08*AF*B6E*5C*8B*1E*5Ey*92&Source=SysQR&PageType=Start&PreviousList=RecordListFind&WebPageNr=1&NumberToRetrieve=50&WebAction=NewSearch&StartValue=0&RowRepeat=0&ExtraInfo=&SortIndex=Year&SortDirection=-1&Resource=&SavingIndicator=&RestrType=&RestrTerms=&RestrShowAll=&LinkToIndex=; http://hdl.handle.net/11610/20119

الاتاحة: http://hdl.handle.net/11610/20119
https://vsmart.lib.aegean.gr/webopac/List.csp?SearchT1=%CE%BC%CF%80%CF%81%CE%B1%CE%BD%CE%B7&Index1=Keywordsbib&Database=1&SearchMethod=Find_1&SearchTerm1=%CE%BC%CF%80%CF%81%CE%B1%CE%BD%CE%B7&OpacLanguage=gre&Profile=Default&EncodedRequest=*DBft*F8*18*24*08*AF*B6E*5C*8B*1E*5Ey*92&EncodedQuery=*DBft*F8*18*24*08*AF*B6E*5C*8B*1E*5Ey*92&Source=SysQR&PageType=Start&PreviousList=RecordListFind&WebPageNr=1&NumberToRetrieve=50&WebAction=NewSearch&StartValue=0&RowRepeat=0&ExtraInfo=&SortIndex=Year&SortDirection=-1&Resource=&SavingIndicator=&RestrType=&RestrTerms=&RestrShowAll=&LinkToIndex=

المؤلفون: Mayer, Daniel, Moshammer, Kai, Cai, Liming, Pitsch, Heinz, Kohse-Höinghaus, Katharina

مصطلحات موضوعية: partially premixed, dimethyl ether, detailed chemistry simulation, low-temperature, laminar flame, combustion

Relation: info:eu-repo/semantics/altIdentifier/issn/1364-7830; info:eu-repo/semantics/altIdentifier/wos/000351862700005; https://pub.uni-bielefeld.de/record/2731065

الاتاحة: https://pub.uni-bielefeld.de/record/2731065

المؤلفون: Liming Cai, Heinz Pitsch, Katharina Kohse-Höinghaus, Kai Moshammer, Daniel Mayer

مصطلحات موضوعية: Work (thermodynamics), Atmospheric pressure, Chemistry, General Chemical Engineering, Nozzle, Reaction scheme, dimethyl ether, laminar flame, General Physics and Astronomy, Energy Engineering and Power Technology, Thermodynamics, low-temperature, General Chemistry, Combustion, Dilution, detailed chemistry simulation, chemistry.chemical_compound, Fuel Technology, Modeling and Simulation, Combustor, Organic chemistry, Dimethyl ether, partially premixed, combustion

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf72ad3181cf170fcc8d0a16ba843c01
https://doi.org/10.1080/13647830.2014.1002815

المؤلفون: Banda, Peter, Blount, Drew, Teuscher, Christof

المصدر: Computer Science Faculty Publications and Presentations

مصطلحات موضوعية: Chemical reactions -- Computer simulation, Chemical reactions -- Mathematical models, Chemistry -- Simulation methods, Computational grids (Computer systems), Computational Engineering

وصف الملف: application/pdf

Relation: https://pdxscholar.library.pdx.edu/compsci_fac/116; https://pdxscholar.library.pdx.edu/context/compsci_fac/article/1118/viewcontent/teuscher_COEL_a_Web_Based_Chemistrysim.pdf

الاتاحة: https://pdxscholar.library.pdx.edu/compsci_fac/116
https://pdxscholar.library.pdx.edu/context/compsci_fac/article/1118/viewcontent/teuscher_COEL_a_Web_Based_Chemistrysim.pdf

المؤلفون: Yoon, Bokwon, Landman, Uzi, Habibpour, Vahideh, Harding, Chris, Kunz, Sebastian, Heiz, Ueli, Moseler, Michael, Walter, Michael

مصطلحات موضوعية: info:eu-repo/classification/ddc, Adsorption (coadsorption oxidn. of magnesia-supported Pd30 nanoclusters and catalyzed CO combustion and size-selected expts. and first-principles theory) Dissociation Energy (dissocn energy oxidn. of magnesia-supported Pd30 nanoclusters and catalyzed CO combustion and size-selected expts. and first-principles theory) Clusters (metal, nanoclusters oxidn. of magnesia-supported Pd30 nanoclusters and catalyzed CO combustion and size-selected expts. and first-principles theory) Clusters Nanoparticles (nanoclusters, nanoclusters oxidn. of magnesia-supported Pd30 nanoclusters and catalyzed CO combustion and size-selected expts. and first-principles theory) Adsorbed substances Adsorption Annealing Bond angle Bond length Combustion catalysts Crystal orientation Density functional theory Electric charge Interface Molecular orbital Molecular structure determination methods Oxidation Oxidation Oxidation catalysts Quantum chemistry Simulation and Modeling Surface structure (oxidn. of magnesia-supported Pd30 nanoclusters and catalyzed CO combustion and size-selected expts. and first-principles theory) Oxidation Reaction mechanism (surface oxidn. of magnesia-supported Pd30 nanoclusters and catalyzed CO combustion and size-selected expts. and first-principles theory) oxidn magnesia supported palladium nanocluster catalyzed carbon monoxide combustion size selected expt first principle theory

Relation: https://mediatum.ub.tum.de/1174749

الاتاحة: https://mediatum.ub.tum.de/1174749
https://doi.org/10.1021/jp301314s

المؤلفون: D. Branduardi, M. De Vivo, REGA, NADIA, V. Barone, A. Cavalli

المساهمون: D., Branduardi, M., De Vivo, Rega, Nadia, V., Barone, A., Cavalli

مصطلحات موضوعية: theoretical chemistry simulation reactivity

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000287991300001; volume:7; firstpage:539; lastpage:543; numberofpages:5; journal:JOURNAL OF CHEMICAL THEORY AND COMPUTATION; http://hdl.handle.net/11588/404513; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-79952610585

الاتاحة: http://hdl.handle.net/11588/404513

المؤلفون: Davide Branduardi, Vincenzo Barone, Andrea Cavalli, Nadia Rega, Marco De Vivo

المساهمون: D., Branduardi, M., De Vivo, Rega, Nadia, V., Barone, A., Cavalli, Branduardi D., De Vivo M., Rega N., Barone V., Cavalli A., N., Rega, Barone, Vincenzo

مصطلحات موضوعية: Reaction mechanism, Chemistry, Metadynamics, Energy landscape, Sampling (statistics), METADYNAMICS, Associative substitution, COMPUTATIONAL CHEMISTRY, Computer Science Applications, Amplitude, Computational chemistry, theoretical chemistry simulation reactivity, Enhanced sampling method, Self-assembly, Soft matter, Physical and Theoretical Chemistry, QUANTUM-CHEMICAL CALCULATIONS

وصف الملف: STAMPA

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c217166462f80d7c13a4d0c776551843
http://hdl.handle.net/11588/404513