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المؤلفون: Shirin Faraji, Edison X. Salazar
المساهمون: Theoretical Chemistry
المصدر: Molecular Physics, 118(19-20):1764120. Taylor & Francis Ltd
مصطلحات موضوعية: DYNAMICS, Materials science, conical intersection, Photochemistry, Biophysics, 1,3-Cyclohexadiene, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, PATHS, OPTIMIZING CONICAL INTERSECTIONS, 0103 physical sciences, minimum-energy crossing point, Physical and Theoretical Chemistry, Spectroscopy, Molecular Biology, 1,3-CYCLOHEXADIENE, SPECTROSCOPY, 010304 chemical physics, Time-dependent density functional theory, Conical intersection, Condensed Matter Physics, 0104 chemical sciences, chemistry, Density functional theory, 3-CYCLOHEXADIENE, Spin-flip, spin-Flip, electrocyclic reactions
وصف الملف: application/pdf
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المؤلفون: Eduardo V. Ludeña, Darío Arroyo, Jorge Vallejo, Edison X. Salazar
المساهمون: Theoretical Chemistry
المصدر: NOVEL ELECTRONIC STRUCTURE THEORY: GENERAL INNOVATIONS AND STRONGLY CORRELATED SYSTEMS, 59-78
STARTPAGE=59;ENDPAGE=78;TITLE=NOVEL ELECTRONIC STRUCTURE THEORY: GENERAL INNOVATIONS AND STRONGLY CORRELATED SYSTEMSمصطلحات موضوعية: Power series, IONS, PSEUDOCONVEXITY, INFORMATION, Nuclear Theory, LOCAL-SCALING TRANSFORMATIONS, DIFFERENTIAL-EQUATION, 010402 general chemistry, Kinetic energy, 01 natural sciences, DENSITY-FUNCTIONAL THEORY, symbols.namesake, Pauli exclusion principle, Atomic orbital, SYSTEMS, Quantum mechanics, 0103 physical sciences, Atom, Physics::Atomic and Molecular Clusters, EXCHANGE-ENERGY, Representation (mathematics), FORMULATION, Physics, 010304 chemical physics, Atoms in molecules, 0104 chemical sciences, Product (mathematics), symbols, ELECTRON-DENSITY
وصف الملف: application/pdf
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المؤلفون: Pedro F. Guarderas, Mauricio Cornejo, Valentin V. Karasiev, Eduardo V. Ludeña, Edison X. Salazar
المصدر: International Journal of Quantum Chemistry. 116:1313-1321
مصطلحات موضوعية: Physics, 010304 chemical physics, Energetic neutral atom, Condensed Matter Physics, Kinetic energy, 01 natural sciences, Atomic and Molecular Physics, and Optics, Ion, Simple (abstract algebra), Quantum mechanics, 0103 physical sciences, Molecule, Density functional theory, Physics::Atomic Physics, Physical and Theoretical Chemistry, 010306 general physics, Series expansion
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المؤلفون: Darío Arroyo, Eduardo V. Ludeña, Valentin V. Karasiev, Mauricio Cornejo, Edison X. Salazar
المساهمون: Theoretical Chemistry
المصدر: International Journal of Quantum Chemistry, 118(14):25601. Wiley
مصطلحات موضوعية: Power series, GRADIENT EXPANSION, ENHANCEMENT FACTOR, Kohn–Sham equations, APPROXIMATIONS, Kinetic energy, 01 natural sciences, TERMS, symbols.namesake, MOLECULES, Pauli exclusion principle, MOMENTS, Quantum mechanics, 0103 physical sciences, ORBITAL-FREE DFT, Molecule, Kohn-Sham, Physical and Theoretical Chemistry, EXCHANGE-ENERGY, 010306 general physics, density functional theory, Physics, 010304 chemical physics, Exchange interaction, COMPONENTS, Condensed Matter Physics, Pauli functional, kinetic energy functional, Atomic and Molecular Physics, and Optics, Yield (chemistry), symbols, Density functional theory, ELECTRON-DENSITY
وصف الملف: application/pdf