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المساهمون: Laboratoire de chimie théorique (LCT), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), University of Zaragoza - Universidad de Zaragoza [Zaragoza]
المصدر: Computational and Theoretical Chemistry
Computational and Theoretical Chemistry, Elsevier, 2022, 1207, pp.113505. ⟨10.1016/j.comptc.2021.113505⟩مصطلحات موضوعية: chemistry.chemical_classification, orbital forces, 010405 organic chemistry, Bond strength, Inverted bonds, Bond, Sigma, Function (mathematics), superdirect bonds, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, Molecular physics, 3. Good health, 0104 chemical sciences, Hydrocarbon, Molecular geometry, chemistry, [CHIM]Chemical Sciences, Chemical bonding, hydrocarbons, Physical and Theoretical Chemistry, Bond energy, Sigma bond
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مصطلحات موضوعية: Crystallography, chemistry.chemical_compound, Materials science, Chemical bond, chemistry, Yield (chemistry), Substituent, Single bond, Molecular orbital, Sigma bond, Bond energy, Bond-dissociation energy
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المؤلفون: Franck Fuster, Patrick Chaquin
المصدر: ChemPhysChem. 18:2873-2880
مصطلحات موضوعية: Nucleophilic addition, 010304 chemical physics, Chemistry, Walsh diagram, 010402 general chemistry, Antibonding molecular orbital, 01 natural sciences, Atomic and Molecular Physics, and Optics, Cycloaddition, 0104 chemical sciences, Reaction coordinate, Chemical physics, Non-bonding orbital, Computational chemistry, 0103 physical sciences, Nucleophilic substitution, Molecular orbital, Physical and Theoretical Chemistry
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المساهمون: University of Zaragoza - Universidad de Zaragoza [Zaragoza], Laboratoire de chimie théorique (LCT), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
المصدر: Chemistry-A European Journal
Chemistry-A European Journal, Wiley-VCH Verlag, In press, ⟨10.1002/chem.201904910⟩مصطلحات موضوعية: orbital forces, 010405 organic chemistry, Organic Chemistry, Molecular orbital theory, General Chemistry, inverted bonds, 010402 general chemistry, Antibonding molecular orbital, 01 natural sciences, Catalysis, 0104 chemical sciences, Lewis structure, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Propellane, chemistry.chemical_compound, symbols.namesake, Character (mathematics), chemistry, Chemical physics, symbols, Molecule, Molecular orbital, Bond energy, [1.1.1]propellane, bond energies
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مصطلحات موضوعية: Materials science, Molecular orbital theory, Antibonding molecular orbital, Lewis structure, Propellane, chemistry.chemical_compound, symbols.namesake, Crystallography, chemistry, Chemical bond, symbols, Molecule, Molecular orbital, Bond energy
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المؤلفون: Patrick Chaquin, Franck Fuster
المساهمون: Laboratoire de chimie théorique (LCT), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
المصدر: International Journal of Quantum Chemistry
International Journal of Quantum Chemistry, Wiley, 2019, 119 (20), pp.e25996. ⟨10.1002/qua.25996⟩مصطلحات موضوعية: Silanes, 010304 chemical physics, Reinforced carbon–carbon, Sigma, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, chemistry.chemical_compound, chemistry, 0103 physical sciences, Pi, Partition (number theory), Physical chemistry, Physical and Theoretical Chemistry, Bond energy
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المؤلفون: Franck Fuster, François Volatron, Patrick Chaquin
المساهمون: Laboratoire de chimie théorique (LCT), Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS)
المصدر: International Journal of Quantum Chemistry
International Journal of Quantum Chemistry, Wiley, 2018, 118 (17), pp.e25658. ⟨10.1002/qua.25658⟩مصطلحات موضوعية: Materials science, 010304 chemical physics, 010402 general chemistry, Condensed Matter Physics, Antibonding molecular orbital, 01 natural sciences, Molecular physics, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Character (mathematics), 0103 physical sciences, Molecular orbital, Physical and Theoretical Chemistry, Lone pair
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المؤلفون: Patrick, Chaquin, Franck, Fuster
المصدر: Chemphyschem : a European journal of chemical physics and physical chemistry. 18(20)
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المؤلفون: Sławomir J. Grabowski, Bruno Madebene, Franck Fuster, Esmail Alikhani
المصدر: Phys. Chem. Chem. Phys.. 16:2430-2442
مصطلحات موضوعية: Chalcogen, Crystallography, Covalent bond, Chemistry, Computational chemistry, Atoms in molecules, Atom, General Physics and Astronomy, Molecule, Lewis acids and bases, Physical and Theoretical Chemistry, Electron localization function, Natural bond orbital
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المؤلفون: Sébastien Fernandez, Christian Minot, Alexis Markovits, Franck Fuster
المصدر: The Journal of Physical Chemistry C. 111:6781-6788
مصطلحات موضوعية: Surface (mathematics), Period (periodic table), Chemistry, Defect free, Table (information), Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Metal, General Energy, Adsorption, Transition metal, Computational chemistry, visual_art, Atom, visual_art.visual_art_medium, Physical chemistry, Physical and Theoretical Chemistry
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المؤلفون: Philippe Soler, Hilaire Chevreau, Franck Fuster, Jacqueline Bergès
المصدر: Chemical Physics Letters. 411:117-120
مصطلحات موضوعية: Hydrogen, Chemistry, Hydrogen bond, Chemical physics, General Physics and Astronomy, chemistry.chemical_element, Physics::Atomic Physics, Electron, Physical and Theoretical Chemistry, Atomic physics, Spin (physics), Computer Science::Operating Systems, Topological quantum number
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المؤلفون: Franck Fuster, Mohammad Esmaïl Alikhani, Bernard Silvi
المصدر: Structural Chemistry. 16:203-210
مصطلحات موضوعية: Quantitative Biology::Biomolecules, Delocalized electron, Hydrogen, Chemistry, Hydrogen bond, Structure (category theory), Molecule, chemistry.chemical_element, Physical and Theoretical Chemistry, Condensed Matter Physics, Topology, Electron localization function, Characterization (materials science)
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المؤلفون: Hilaire Chevreau, Philippe Soler, Franck Fuster
المصدر: Journal of Computational Chemistry. 25:1920-1925
مصطلحات موضوعية: education.field_of_study, Chemistry, Population, Partition problem, General Chemistry, Data application, Topology, Electron localization function, Computational Mathematics, Linear scale, Molecule, Partition (number theory), Maxima, education
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المصدر: Phys. Chem. Chem. Phys.. 6:3228-3234
مصطلحات موضوعية: Chemistry, General Physics and Astronomy, Molecular orbital, Function (mathematics), Electron, Physical and Theoretical Chemistry, Topology, Electron population, Lone pair, Cis–trans isomerism, Electron localization function, Ion
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المصدر: Molecular Physics. 100:1659-1675
مصطلحات موضوعية: Valence (chemistry), Hydrogen bond, Chemistry, Biophysics, Condensed Matter Physics, Electron localization function, Computational chemistry, Atomic electron transition, Intramolecular force, Molecular vibration, Atom, Molecule, Physical and Theoretical Chemistry, Molecular Biology
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المؤلفون: Josep M. Ricart, Daniel Curulla, Franck Fuster, Francisco Ample, Anna Clotet
المصدر: Surface Science. 497:139-154
مصطلحات موضوعية: Chemistry, Cyanogen, Surfaces and Interfaces, Electronic structure, Condensed Matter Physics, Electron localization function, Surfaces, Coatings and Films, chemistry.chemical_compound, Adsorption, Transition metal, Chemisorption, Computational chemistry, Molecular vibration, Materials Chemistry, Physical chemistry, Density functional theory
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المؤلفون: Bernard Silvi, Franck Fuster
المصدر: Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 104:13-21
مصطلحات موضوعية: Chemical bond, Chemistry, Sextuple bond, Low-barrier hydrogen bond, Single bond, Physical and Theoretical Chemistry, Bond energy, Triple bond, Topology, Bent bond, Bond order
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المؤلفون: Bernard Silvi, Alain Sevin, Franck Fuster
المصدر: Journal of Computational Chemistry. 21:509-514
مصطلحات موضوعية: Physics, Computational Mathematics, Condensed matter physics, Chemical physics, General Chemistry, Electron localization function
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::cbe2f4628532f3c178058ac0b3506810
https://doi.org/10.1002/(sici)1096-987x(200005)21:7<509::aid-jcc1>3.0.co;2-y