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1
المؤلفون: Pavlin D, Mitev, W J, Briels, Kersti, Hermansson
المصدر: The Journal of Physical Chemistry. B
مصطلحات موضوعية: Solutions, Water, Hydrogen Bonding, Physics::Chemical Physics, Carbon Dioxide, Molecular Dynamics Simulation, Article
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2
المؤلفون: David Langhammer, Pavlin D. Mitev, Lars Österlund, Jolla Kullgren
المصدر: Surface Science. 677:46-51
مصطلحات موضوعية: Materials science, Absorption spectroscopy, Infrared, Analytical chemistry, Ab initio, 02 engineering and technology, Surfaces and Interfaces, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Spectral line, 0104 chemical sciences, Surfaces, Coatings and Films, Adsorption, Materials Chemistry, Density functional theory, Absorption (chemistry), 0210 nano-technology, Spectroscopy
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3
المؤلفون: Yunqi, Shao, Matti, Hellström, Pavlin D, Mitev, Lisanne, Knijff, Chao, Zhang
المصدر: Journal of chemical information and modeling. 60(3)
مصطلحات موضوعية: Machine Learning, Computer Simulation, Neural Networks, Computer, Software, Gene Library
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4
المصدر: Journal of Chemical Information and Modeling
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5
المؤلفون: Zhen Qiu, Meysam Pazoki, Pavlin D. Mitev, Haining Tian, Tomas Edvinsson, Roghayeh Imani, Daniel L. A. Fernandes, Reza Younesi
المصدر: Nano Energy. 49:40-50
مصطلحات موضوعية: Materials science, Renewable Energy, Sustainability and the Environment, Nanoporous, Oxide, Substrate (chemistry), chemistry.chemical_element, Nanoparticle, 02 engineering and technology, Overpotential, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Copper, 0104 chemical sciences, Catalysis, chemistry.chemical_compound, symbols.namesake, chemistry, Chemical engineering, symbols, General Materials Science, Electrical and Electronic Engineering, 0210 nano-technology, Raman spectroscopy
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6
المؤلفون: Pavlin D. Mitev, Dor Ben-Amotz, Samual R. Zukowski, Kersti Hermansson
المصدر: The Journal of Physical Chemistry Letters. 8:2971-2975
مصطلحات موضوعية: 010304 chemical physics, Chemistry, Hydrogen bond, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, symbols.namesake, Crystallography, Transformation (function), Solvation shell, 0103 physical sciences, Tetrahedron, Theoretical chemistry, symbols, Molecule, General Materials Science, Physics::Chemical Physics, Physical and Theoretical Chemistry, Spectroscopy, Raman spectroscopy, Physics::Atmospheric and Oceanic Physics
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7
المساهمون: Faculty of Science and Technology, Computational Chemical Physics
المصدر: Journal of physical chemistry C, 121(28), 15127-15134. American Chemical Society
مصطلحات موضوعية: Chemistry, Monte Carlo method, chemistry.chemical_element, 02 engineering and technology, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Ion, General Energy, Impurity, Lattice monte carlo, 0103 physical sciences, 2023 OA procedure, Cluster (physics), Fluorine, Physics::Atomic and Molecular Clusters, Physical and Theoretical Chemistry, Atomic physics, Entropy (energy dispersal), Physics::Chemical Physics, 010306 general physics, 0210 nano-technology, Cluster analysis
وصف الملف: application/pdf
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8
المؤلفون: Christof Köhler, Jolla Kullgren, Pavlin D. Mitev, Eddie Wadbro, A K Akshay Krishna, Peter Broqvist
المصدر: Computer Physics Communications. 258:107602
مصطلحات موضوعية: Optimization problem, Computer science, NumPy, Regular polygon, Ab initio, General Physics and Astronomy, Python (programming language), Curvature, computer.software_genre, 01 natural sciences, 010305 fluids & plasmas, Computational science, Software framework, Hardware and Architecture, 0103 physical sciences, Quadratic programming, 010306 general physics, computer, computer.programming_language
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9
المصدر: Journal of Chemical Theory and Computation
مصطلحات موضوعية: Aqueous solution, Materials science, 010304 chemical physics, Hydrogen bond, Anharmonicity, Experimental data, Ionic bonding, 01 natural sciences, Computer Science Applications, Chemical physics, 0103 physical sciences, Theoretical methods, Molecule, Physical and Theoretical Chemistry
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10
المؤلفون: Pavlin D. Mitev, Kersti Hermansson, Wim J. Briels, Getachew G. Kebede
المساهمون: Computational Chemical Physics
المصدر: Physical chemistry chemical physics, 20(18), 12678-12687. Royal Society of Chemistry
Physical chemistry, chemical physics 20(18), 12678-12687 (2018). doi:10.1039/C8CP00741A
Physical Chemistry Chemical Physicsمصطلحات موضوعية: Fysikalisk kemi, Materials science, Oxide, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Potential energy, Physical Chemistry, Spectral line, 0104 chemical sciences, Blueshift, Ion, Dipole, chemistry.chemical_compound, chemistry, Chemical physics, ddc:540, Hydroxide, Molecule, Physical and Theoretical Chemistry, 0210 nano-technology
وصف الملف: application/pdf
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d1e9580d5f854597682fa03864f33d94
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-347218