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1دورية أكاديمية
المؤلفون: Csaba E. Szakacs, Erika F. Merschrod S., Kristin M. Poduska
المصدر: Computation, Vol 1, Iss 1, Pp 16-26 (2013)
مصطلحات موضوعية: ZnO, electronic structure, band structure, DFT calculations, ZnO clusters, Electronic computers. Computer science, QA75.5-76.95
وصف الملف: electronic resource
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المؤلفون: Csaba E. Szakacs, Rico Gutzler, Federico Rosei, Josh Lipton-Duffin, Luis Cardenas, Martin Vondráček, Laurentiu E. Dinca, Maksym Rybachuk, Mohamed El Garah, Chaoying Fu, Dmitrii F. Perepichka, M.C. Gallagher
المصدر: Nanoscale. 6:2660-2668
مصطلحات موضوعية: Materials science, Photoemission spectroscopy, Annealing (metallurgy), chemistry.chemical_element, Photochemistry, Copper, Ullmann reaction, chemistry.chemical_compound, chemistry, Covalent bond, Thiophene, Molecule, Organic chemistry, General Materials Science, Thermal stability
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee74810e883e9e83a8674f2005de387d
https://doi.org/10.1039/c3nr05710k -
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المصدر: Physical chemistry chemical physics : PCCP. 16(27)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::fea1cbfc084920d58d9142f08606d351
https://pubmed.ncbi.nlm.nih.gov/24667996 -
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المؤلفون: Paul G. Mezey, Csaba E. Szakacs
المصدر: The Journal of Physical Chemistry A. 113:5157-5159
مصطلحات موضوعية: Crystallography, Electron density, Chemistry, Helix, Ab initio, chemistry.chemical_element, Density functional theory, Molecular orbital, Graphite, Electronic structure, Physical and Theoretical Chemistry, Boron
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5
المؤلفون: F S Erika Merschrod, Csaba E. Szakacs, Kristin M. Poduska
المصدر: Computation; Volume 1; Issue 1; Pages: 16-26
Computation, Vol 1, Iss 1, Pp 16-26 (2013)مصطلحات موضوعية: General Computer Science, Band gap, band structure, 02 engineering and technology, Electronic structure, DFT calculations, 010402 general chemistry, 01 natural sciences, Kinetic control, lcsh:QA75.5-76.95, Theoretical Computer Science, Computational chemistry, Periodic boundary conditions, Electronic band structure, Chemistry, Applied Mathematics, electronic structure, 021001 nanoscience & nanotechnology, ZnO clusters, 0104 chemical sciences, Nanocrystal, Chemical physics, Modeling and Simulation, ZnO, Density of states, Density functional theory, lcsh:Electronic computers. Computer science, 0210 nano-technology
وصف الملف: application/pdf
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6
المؤلفون: Jennifer MacLeod, Laurentiu E. Dinca, Chaoying Fu, Dmitrii F. Perepichka, Dongling Ma, Federico Rosei, Josh Lipton-Duffin, Jaclyn L. Brusso, Csaba E. Szakacs
المصدر: ACS nano. 7(2)
مصطلحات موضوعية: Materials science, Resolution (mass spectrometry), General Engineering, General Physics and Astronomy, Nanotechnology, law.invention, Characterization (materials science), Pentacene, Secondary ion mass spectrometry, chemistry.chemical_compound, chemistry, Nanoelectronics, law, Molecule, General Materials Science, Scanning tunneling microscope, Nanoscopic scale
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7
المؤلفون: Csaba E. Szakacs, Paul G. Mezey
المصدر: The journal of physical chemistry. A. 112(29)
مصطلحات موضوعية: Electron density, Field (physics), Ab initio, chemistry.chemical_element, Order (ring theory), Electronic structure, Crystallography, chemistry, Physics::Atomic and Molecular Clusters, Molecular orbital, Density functional theory, Physics::Chemical Physics, Physical and Theoretical Chemistry, Boron
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8
المؤلفون: Csaba E. Szakacs, Paul G. Mezey
المصدر: The journal of physical chemistry. A. 112(11)
مصطلحات موضوعية: Electron density, Crystallography, chemistry.chemical_compound, Chemistry, Supramolecular chemistry, Ab initio, Molecular orbital, Density functional theory, Cyclobutadiene, Electronic structure, Physical and Theoretical Chemistry, Macromolecule
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المصدر: Physical Chemistry Chemical Physics. 16:13654
مصطلحات موضوعية: Spin states, Chemistry, Reaction step, Binding energy, General Physics and Astronomy, Catalysis, Bond length, chemistry.chemical_compound, Crystallography, Computational chemistry, Pyridine, Moiety, Density functional theory, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::6b06fbc6a7bfb999214b63db6c242b5b
https://doi.org/10.1039/c3cp55331k -
10دورية أكاديمية
المؤلفون: Csaba E. Szakacs, Paul G. Mezey
المصدر: Journal of Physical Chemistry A; Mar2008, Vol. 112 Issue 11, p2477-2481, 5p