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المؤلفون: Omar Lopez-Estrada, Nisha Mammen, Laura Laverdure, Marko Melander, Hannu Häkkinen, Karoliina Honkala
مصطلحات موضوعية: ligand protected cluster, elektrokatalyysi, nanorakenteet, gold nanocluster, tiheysfunktionaaliteoria, electrocatalysis, HER, doping, density functional theory, redox potential
وصف الملف: application/pdf; fulltext
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a2f6cf66b15ca6b89410507f676f810
http://urn.fi/URN:NBN:fi:jyu-202307114495 -
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المؤلفون: Ville Korpelin, Toni Kiljunen, Marko M. Melander, Miguel A. Caro, Henrik H. Kristoffersen, Nisha Mammen, Vesa Apaja, Karoliina Honkala
المصدر: Korpelin, V, Kiljunen, T, Melander, M M, Caro, M A, Kristoffersen, H H, Mammen, N, Apaja, V & Honkala, K 2022, ' Addressing Dynamics at Catalytic Heterogeneous Interfaces with DFT-MD : Anomalous Temperature Distributions from Commonly Used Thermostats ', Journal of Physical Chemistry Letters, vol. 13, no. 11, pp. 2644-2652 . https://doi.org/10.1021/acs.jpclett.2c00230
مصطلحات موضوعية: kemia, tiheysfunktionaaliteoria, lämmönsäätimet, General Materials Science, molekyylidynamiikka, Physical and Theoretical Chemistry
وصف الملف: application/pdf; fulltext
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المؤلفون: Nisha Mammen, Sami Malola, Karoliina Honkala, Hannu Häkkinen
مصطلحات موضوعية: catalysis, tiheysfunktionaaliteoria, nanoclusters, pelkistys, nanoklusterit, General Chemistry, gold, Catalysis, kulta, monolayer-protected clusters, katalyytit, acrolein reduction, katalyysi, nanohiukkaset, hydraus, density functional theory
وصف الملف: application/pdf; fulltext
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f299dde8af5befb2ffdcae00d0fd397c
http://urn.fi/URN:NBN:fi:jyu-202202071397 -
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المؤلفون: Hannu Häkkinen, Nisha Mammen, Karoliina Honkala, Sami Malola
المصدر: Nanoscale. 12:23859-23868
مصطلحات موضوعية: chemistry.chemical_classification, Materials science, Double bond, Ligand, Hydrogen bond, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Nanoclusters, Molecular dynamics, chemistry, Chemical physics, Cluster (physics), Nanomedicine, General Materials Science, Density functional theory, 0210 nano-technology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ad4c62cb11657d86829c2b219c6a7b27
https://doi.org/10.1039/d0nr07366k -
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المؤلفون: Sukanya Ghosh, Nisha Mammen, Shobhana Narasimhan
المصدر: The Journal of Physical Chemistry C. 123:19794-19805
مصطلحات موضوعية: Materials science, Dopant, Doping, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Chemical reaction, Acceptor, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Ion, Electronegativity, General Energy, Oxidation state, Physical chemistry, Density functional theory, Physical and Theoretical Chemistry, 0210 nano-technology
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المؤلفون: Preeti Dagar, Sourav Mondal, Kasinath Ojha, Nisha Mammen, Shobhana Narasimhan, Ashok K. Ganguli, Debdipto Acharya
المصدر: Bulletin of Materials Science. 43
مصطلحات موضوعية: Materials science, Ab initio, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Computer Science::Digital Libraries, 01 natural sciences, 0104 chemical sciences, Gibbs free energy, symbols.namesake, Tetragonal crystal system, Mechanics of Materials, symbols, General Materials Science, Hydrogen evolution, Density functional theory, Reactivity (chemistry), Orthorhombic crystal system, van der Waals force, Composite material, 0210 nano-technology
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المؤلفون: Nisha, Mammen, Sami, Malola, Karoliina, Honkala, Hannu, Häkkinen
المصدر: Nanoscale. 12(46)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::7fc59c600e977610de268858a09eb3dc
https://pubmed.ncbi.nlm.nih.gov/33237092 -
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المؤلفون: Sukanya Ghosh, Nisha Mammen, Shobhana Narasimhan
المصدر: The Journal of chemical physics. 152(14)
مصطلحات موضوعية: Materials science, 010304 chemical physics, Magnetic moment, Dopant, Doping, General Physics and Astronomy, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Nanoclusters, Electronegativity, Chemical physics, 0103 physical sciences, Cluster (physics), Density functional theory, Work function, Physical and Theoretical Chemistry
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المؤلفون: Hannu Häkkinen, Karoliina Honkala, Nisha Mammen, David Kuhness, Hyun Jin Yang, Wolf-Dieter Schneider, Hans-Joachim Freund, Markus Heyde, Jagriti Pal
المصدر: Topics in Catalysis
مصطلحات موضوعية: Materials science, Diffusion, Ag(001), 02 engineering and technology, 01 natural sciences, Catalysis, kulta, law.invention, Metal, Adsorption, law, 0103 physical sciences, Molecule, Au, 010306 general physics, Inelastic electron tunneling spectroscopy, General Chemistry, 021001 nanoscience & nanotechnology, 3. Good health, CO, Crystallography, adsorption, visual_art, visual_art.visual_art_medium, Density functional theory, Scanning tunneling microscope, 0210 nano-technology, adsorptio
وصف الملف: application/pdf; fulltext
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b931e83b1252476377cf65788946974
http://urn.fi/URN:NBN:fi:jyu-202007015192 -
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المؤلفون: Shobhana Narasimhan, Nisha Mammen
المصدر: The Journal of chemical physics. 151(14)
مصطلحات موضوعية: Materials science, Chemical physics, Binding energy, Ab initio, Cluster (physics), General Physics and Astronomy, Energy landscape, Sintering, Density functional theory, Physical and Theoretical Chemistry, Diffusion (business), Scaling
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