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المؤلفون: V. A. Postnikov, Ya. V. Burdakov, Alexander A. Bagaturyants, A. Ya. Freidzon, V. R. Nikitenko
المصدر: The Journal of Physical Chemistry C. 125:13002-13013
مصطلحات موضوعية: Crystal, P-Quaterphenyl, General Energy, Materials science, Condensed matter physics, Physical and Theoretical Chemistry, Anisotropy, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials
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المؤلفون: Alexander A. Bagaturyants, Alexandra Ya. Freidzon
المصدر: The Journal of Physical Chemistry A. 124:7927-7934
مصطلحات موضوعية: Phthalonitrile, chemistry.chemical_compound, Oscillator strength, Chemistry, Molecular vibration, Ab initio, Molecule, Physical and Theoretical Chemistry, Molecular physics, Potential energy, Fluorescence, Common emitter
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المصدر: The Journal of Physical Chemistry C. 123:11171-11178
مصطلحات موضوعية: Biphenyl, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Medicinal chemistry, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, Triplet exciton, General Energy, chemistry, Diamine, Intramolecular force, Molecule, Physical and Theoretical Chemistry, 0210 nano-technology
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المؤلفون: Alexandra Ya, Freidzon, Alexander A, Bagaturyants
المصدر: The journal of physical chemistry. A. 124(39)
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المصدر: Physical chemistry chemical physics : PCCP. 22(6)
مصطلحات موضوعية: Materials science, Dimer, Intermolecular force, General Physics and Astronomy, Charge (physics), 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Quantum chemistry, 0104 chemical sciences, chemistry.chemical_compound, Monomer, chemistry, Diamine, Computer Science::Networking and Internet Architecture, Molecule, Condensed Matter::Strongly Correlated Electrons, Physics::Chemical Physics, Physical and Theoretical Chemistry, 0210 nano-technology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d9ba064e7d163f29594ded52e4a4fa1
https://pubmed.ncbi.nlm.nih.gov/31994567 -
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المصدر: International Journal of Quantum Chemistry. 120
مصطلحات موضوعية: Materials science, Fragment (logic), Excited state, Physical and Theoretical Chemistry, Condensed Matter Physics, Molecular physics, Atomic and Molecular Physics, and Optics
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المصدر: Journal of Computational Chemistry. 39:807-814
مصطلحات موضوعية: Computer science, Intermolecular force, 02 engineering and technology, General Chemistry, Molecular systems, 010402 general chemistry, 021001 nanoscience & nanotechnology, Electrostatics, 01 natural sciences, 0104 chemical sciences, Computational science, Computational Mathematics, Open source, Ab initio quantum chemistry methods, Polarizability, 0210 nano-technology, Merge (version control)
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المؤلفون: Igor Anger, Elena Y. Rykova, Alexander A. Bagaturyants
المصدر: ChemistrySelect. 2:9495-9500
مصطلحات موضوعية: Molecular dynamics, Chemistry, Excited state, Binding energy, OLED, Physical chemistry, General Chemistry, Time-dependent density functional theory, Atomic physics, Ground state, Dispersion (chemistry), Quantum chemistry
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المؤلفون: Boris Potapkin, Dmitry Krasikov, Alexandra Yakovlevna Freidzon, A. A. Safonov, Alexey Osipov, Ohyun Kwon, Alexander A. Bagaturyants, Alexander V. Yakubovich
المصدر: The Journal of Physical Chemistry C. 121:22422-22433
مصطلحات موضوعية: Materials science, business.industry, Exciton, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, law.invention, General Energy, law, Excited state, OLED, Degradation (geology), Phosphorescent organic light-emitting diode, Molecule, Optoelectronics, Physical and Theoretical Chemistry, 0210 nano-technology, Phosphorescence, business, Host (network)
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المساهمون: Chimie de la matière complexe (CMC), Université de Strasbourg (UNISTRA)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie de Strasbourg, Centre National de la Recherche Scientifique (CNRS)-Université Louis Pasteur - Strasbourg I-Institut de Chimie du CNRS (INC), Université de Strasbourg (UNISTRA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)
المصدر: Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design, Springer Verlag, 2017, 31 (8), pp.701-714. ⟨10.1007/s10822-017-0033-6⟩مصطلحات موضوعية: Computer science, Stability (learning theory), Ligands, 01 natural sciences, Organic molecules, Set (abstract data type), Metal, Structure-Activity Relationship, Coordination Complexes, Drug Discovery, Computer Simulation, Physical and Theoretical Chemistry, Chelating Agents, Likelihood Functions, Molecular Structure, 010405 organic chemistry, Chemical space, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Range (mathematics), Metals, visual_art, visual_art.visual_art_medium, Generative topographic mapping, Thermodynamics, Cartography, [CHIM.CHEM]Chemical Sciences/Cheminformatics, Algorithms, Applicability domain
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