المؤلفون: Andrew M. Teale, Trygve Helgaker, Andreas Savin, Carlo Adamo, Bálint Aradi, Alexei V. Arbuznikov, Paul W. Ayers, Evert Jan Baerends, Vincenzo Barone, Patrizia Calaminici, Eric Cancès, Emily A. Carter, Pratim Kumar Chattaraj, Henry Chermette, Ilaria Ciofini, T. Daniel Crawford, Frank De Proft, John F. Dobson, Claudia Draxl, Thomas Frauenheim, Emmanuel Fromager, Patricio Fuentealba, Laura Gagliardi, Giulia Galli, Jiali Gao, Paul Geerlings, Nikitas Gidopoulos, Peter M. W. Gill, Paola Gori-Giorgi, Andreas Görling, Tim Gould, Stefan Grimme, Oleg Gritsenko, Hans Jørgen Aagaard Jensen, Erin R. Johnson, Robert O. Jones, Martin Kaupp, Andreas M. Köster, Leeor Kronik, Anna I. Krylov, Simen Kvaal, Andre Laestadius, Mel Levy, Mathieu Lewin, Shubin Liu, Pierre-François Loos, Neepa T. Maitra, Frank Neese, John P. Perdew, Katarzyna Pernal, Pascal Pernot, Piotr Piecuch, Elisa Rebolini, Lucia Reining, Pina Romaniello, Adrienn Ruzsinszky, Dennis R. Salahub, Matthias Scheffler, Peter Schwerdtfeger, Viktor N. Staroverov, Jianwei Sun, Erik Tellgren, David J. Tozer, Samuel B. Trickey, Carsten A. Ullrich, Alberto Vela, Giovanni Vignale, Tomasz A. Wesolowski, Xin Xu, Weitao Yang

المساهمون: Chemistry, General Chemistry, Vriendenkring VUB, Laboratoire de chimie théorique (LCT), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), Université Paris Dauphine-PSL, Université Paris sciences et lettres (PSL), CEntre de REcherches en MAthématiques de la DEcision (CEREMADE), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Centre National de la Recherche Scientifique (CNRS), Groupe Méthodes et outils de la chimie quantique (LCPQ) (GMO), Laboratoire de Chimie et Physique Quantiques Laboratoire (LCPQ), Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Fédération de recherche « Matière et interactions » (FeRMI), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Institut National des Sciences Appliquées (INSA)-Université de Toulouse (UT)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Physique (ICP), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), Systèmes de Fermions Finis - Agrégats (LPT), Laboratoire de Physique Théorique (LPT), Université de Toulouse (UT)-Université de Toulouse (UT)-Centre National de la Recherche Scientifique (CNRS)-Fédération de recherche « Matière et interactions » (FeRMI), ANR-10-LABX-0026,CSC,Center of Chemistry of Complex System(2010), ANR-19-CE07-0024,Co-LAB,Acide/base de Lewis confinées(2019), European Project: 863481,PTEROSOR

المصدر: Physical Chemistry Chemical Physics
Physical chemistry, chemical physics 24(47), 28700-28781 (2022). doi:10.1039/D2CP02827A
Physical chemistry chemical physics, 2022, Vol.24(47), pp.28700-28781 [Peer Reviewed Journal]
Teale, A M, Helgaker, T, Savin, A, Adamo, C, Aradi, B, Arbuznikov, A V, Ayers, P W, Baerends, E J, Barone, V, Calaminici, P, Cancès, E, Carter, E A, Chattaraj, P K, Chermette, H, Ciofini, I, Crawford, T D, De Proft, F, Dobson, J F, Draxl, C, Frauenheim, T, Fromager, E, Fuentealba, P, Gagliardi, L, Galli, G, Gao, J, Geerlings, P, Gidopoulos, N, Gill, P M W, Gori-Giorgi, P, Görling, A, Gould, T, Grimme, S, Gritsenko, O, Jensen, H J A, Johnson, E R, Jones, R O, Kaupp, M, Köster, A M, Kronik, L, Krylov, A I, Kvaal, S, Laestadius, A, Levy, M, Lewin, M, Liu, S, Loos, P F, Maitra, N T, Neese, F, Perdew, J P, Pernal, K, Pernot, P, Piecuch, P, Rebolini, E, Reining, L, Romaniello, P, Ruzsinszky, A, Salahub, D R, Scheffler, M, Schwerdtfeger, P, Staroverov, V N, Sun, J, Tellgren, E, Tozer, D J, Trickey, S B, Ullrich, C A, Vela, A, Vignale, G, Wesolowski, T A, Xu, X & Yang, W 2022, ' DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science ', Physical Chemistry Chemical Physics, vol. 24, no. 47, pp. 28700-28781 . https://doi.org/10.1039/d2cp02827a
Physical Chemistry Chemical Physics, 2022, ⟨10.1039/D2CP02827A⟩

مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, [PHYS.MPHY]Physics [physics]/Mathematical Physics [math-ph], Materials Science, ddc:540, General Physics and Astronomy, Humans, Physical and Theoretical Chemistry

وصف الملف: application/pdf

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https://hdl.handle.net/21.11116/0000-000C-06E3-D21.11116/0000-000C-06E5-B

المؤلفون: Timofey V. Perevalov, Igor P. Prosvirin, Evgenii A. Suprun, Furqan Mehmood, Vladimir A. Gritsenko, Thomas Mikolajick, Uwe Schroeder

المصدر: Journal of Science: Advanced Materials and Devices, Vol 6, Iss 4, Pp 595-600 (2021)

مصطلحات موضوعية: FeRAM, Electronic structure, Argon, Materials science, HfZrO, Band gap, Materials Science (miscellaneous), chemistry.chemical_element, Molecular physics, Electronic, Optical and Magnetic Materials, Biomaterials, Atomic layer deposition, Oxygen vacancy, chemistry, X-ray photoelectron spectroscopy, XPS, TA401-492, Ceramics and Composites, Density functional theory, Thin film, Materials of engineering and construction. Mechanics of materials, Layer (electronics)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f01ce7958a37c1f0471b2c8b299f56da
https://doi.org/10.1016/j.jsamd.2021.08.001

المؤلفون: O. I. Cherniaieva, I. S. Gritsenko, S. V. Kravchenko, L. Ye. Nikishyna

المصدر: News of Pharmacy. :36-40

مصطلحات موضوعية: Diffraction, Materials science, Optical microscope, law, Particle-size distribution, Analytical chemistry, Particle, Particle size, Laser, Mass fraction, Powder, law.invention

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9491446ed822f74120626bd7309c4e6b
https://doi.org/10.24959/nphj.21.67

المؤلفون: Vladimir A. Gritsenko, Yu. N. Novikov

المصدر: Journal of Experimental and Theoretical Physics. 133:488-493

مصطلحات موضوعية: Range (particle radiation), Materials science, Solid-state physics, Ionization, Electric field, General Physics and Astronomy, Charge (physics), Electron, Atomic physics, Quantum tunnelling, Effective mass (spring–mass system)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::943d3fcb32e7a1d90424865ef8ea51d6
https://doi.org/10.1134/s1063776121100046

المؤلفون: Mengyao Chen, Andrey Trypolskyi, Alexey Zhokh, Jianguo Tang, Valentina Gritsenko, Peter E. Strizhak

المصدر: Chemical Papers. 75:3429-3442

مصطلحات موضوعية: Materials science, General Chemical Engineering, Kinetics, Thermodynamics, 02 engineering and technology, General Chemistry, Rate equation, 010402 general chemistry, 021001 nanoscience & nanotechnology, medicine.disease, Kinetic energy, 01 natural sciences, Biochemistry, Industrial and Manufacturing Engineering, 0104 chemical sciences, chemistry.chemical_compound, Adsorption, chemistry, Materials Chemistry, medicine, Dimethyl ether, Dehydration, Methanol, 0210 nano-technology, Zeolite

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https://doi.org/10.1007/s11696-021-01586-y

المؤلفون: L. V. Mel’chakova, Dmitry A. Ksenofontov, L. P. Ogorodova, Marina F. Vigasina, D. A. Kosova, S. K. Dedushenko, Yu. D. Gritsenko

المصدر: Geochemistry International. 59:333-340

مصطلحات موضوعية: Materials science, Aqueous solution, Infrared, 020209 energy, 02 engineering and technology, Calorimetry, engineering.material, 010502 geochemistry & geophysics, 01 natural sciences, Copiapite, Geophysics, Geochemistry and Petrology, Group (periodic table), Mössbauer spectroscopy, 0202 electrical engineering, electronic engineering, information engineering, engineering, Physical chemistry, Standard enthalpy change of formation, Thermal analysis, 0105 earth and related environmental sciences

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::70857dedf27de802caaca5a647bdb83c
https://doi.org/10.1134/s0016702921010079

المؤلفون: Gennadiy N. Kamaev, Vladimir N. Kruchinin, Oleg M. Orlov, Vladimir A. Gritsenko, A. A. Gismatulin, Albert Chin

المصدر: Scientific Reports, Vol 11, Iss 1, Pp 1-10 (2021)
Scientific Reports

مصطلحات موضوعية: Materials for devices, Materials science, Silicon, Science, chemistry.chemical_element, 02 engineering and technology, Chemical vapor deposition, Memristor, 01 natural sciences, Article, law.invention, chemistry.chemical_compound, law, Ionization, 0103 physical sciences, Quantum tunnelling, 010302 applied physics, Multidisciplinary, business.industry, Schottky diode, 021001 nanoscience & nanotechnology, Space charge, Applied physics, Nanoscale devices, Silicon nitride, chemistry, Optoelectronics, Medicine, 0210 nano-technology, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34a32e20278fb272b5b9c565a83cba5c
https://doaj.org/article/fdf3fffcda49418daf39b1af82ad5d2e

المؤلفون: A. P. Eliseev, S. V. Rykhlitskii, Timofey V. Perevalov, Vladimir N. Kruchinin, Vladimir A. Gritsenko, Elena E. Lomonova

المصدر: Optics and Spectroscopy. 128:1963-1969

مصطلحات موضوعية: 010302 applied physics, Zirconium, Photoluminescence, Materials science, Analytical chemistry, chemistry.chemical_element, 01 natural sciences, Atomic and Molecular Physics, and Optics, Electronic, Optical and Magnetic Materials, law.invention, 010309 optics, Tetragonal crystal system, symbols.namesake, chemistry, law, 0103 physical sciences, symbols, Cubic zirconia, Crystallization, Raman spectroscopy, Luminescence, Monoclinic crystal system

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3cf18a11dd73d0ca2e505b9d72b3609f
https://doi.org/10.1134/s0030400x20120991

المؤلفون: Igor P. Prosvirin, Timofey V. Perevalov, R. M. Kh. Iskhakzai, Vladimir A. Gritsenko, V. Sh. Aliev

المصدر: Journal of Experimental and Theoretical Physics. 131:940-944

مصطلحات موضوعية: Materials science, Hydrogen, Solid-state physics, technology, industry, and agriculture, Analytical chemistry, General Physics and Astronomy, chemistry.chemical_element, Electronic structure, Plasma, 01 natural sciences, Electron cyclotron resonance, chemistry, X-ray photoelectron spectroscopy, 0103 physical sciences, Thin film, 010306 general physics, Silicon oxide

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https://doi.org/10.1134/s1063776120110084

المؤلفون: Y.Y. Kedruk, Kh. A. Abdullin, N. V. Permiakov, L. V. Gritsenko, E. V. Maraeva

المصدر: Chimica Techno Acta, Vol 7, Iss 4, Pp 154-158 (2020)
Chimica Techno Acta; Том 7, № 4 (2020): MOSM2020 Special Issue; 154-158

مصطلحات موضوعية: sorption measurements, Materials science, Scanning electron microscope, General Chemical Engineering, ZINC OXIDE, Nanoparticle, chemistry.chemical_element, Nanotechnology, Zinc, Nanomaterials, NANORODS, Specific surface area, Materials Chemistry, QD1-999, SORPTION MEASUREMENTS, zinc oxide, nanorods, virtual device, Sorption, General Chemistry, Chemistry, chemistry, VIRTUAL DEVICE, Nanorod, Virtual device

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https://journals.urfu.ru/index.php/chimtech/article/view/4801