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1
المؤلفون: Axel D. Becke, Golokesh Santra, Jan M. L. Martin
مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Physics - Chemical Physics, General Physics and Astronomy, FOS: Physical sciences, Physical and Theoretical Chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0a6a1ea747cfd34f77c3afd92d2e661
http://arxiv.org/abs/2301.01187 -
2
المؤلفون: Xibo Feng, Axel D. Becke, Erin R. Johnson
المصدر: CrystEngComm. 23:4264-4271
مصطلحات موضوعية: Materials science, Photoluminescence, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Crystal engineering, 01 natural sciences, Quantitative accuracy, 0104 chemical sciences, Crystal, Delocalized electron, Polymorphism (materials science), Chemical physics, Intramolecular force, General Materials Science, 0210 nano-technology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::501399bffb9434c5c2f5d84bf5c6604a
https://doi.org/10.1039/d1ce00383f -
3
المؤلفون: Axel D. Becke
المصدر: The Journal of Chemical Physics. 157:234102
مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry
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4
المؤلفون: Christopher R. Taylor, Stephen G. Dale, Graeme M. Day, Luc M. LeBlanc, Axel D. Becke, Erin R. Johnson
المصدر: Angewandte Chemie International Edition. 57:14906-14910
مصطلحات موضوعية: Work (thermodynamics), 010304 chemical physics, Proton, Computer science, General Medicine, General Chemistry, 010402 general chemistry, Base (topology), 01 natural sciences, Catalysis, 0104 chemical sciences, Crystal structure prediction, Hybrid functional, 0103 physical sciences, Benchmark (computing), Statistical physics, Spurious relationship
وصف الملف: text
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5
المؤلفون: Erin R. Johnson, Xibo Feng, Axel D. Becke
المصدر: The Journal of chemical physics. 149(23)
مصطلحات موضوعية: Photoluminescence, 010304 chemical physics, Exciton, General Physics and Astronomy, Charge (physics), 010402 general chemistry, 01 natural sciences, Spectral line, Virial theorem, 0104 chemical sciences, Condensed Matter::Materials Science, Excited state, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Singlet state, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics, Excitation
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6
المؤلفون: Axel D. Becke
المصدر: The Journal of chemical physics. 149(8)
مصطلحات موضوعية: Physics, 010304 chemical physics, Computation, Exciton, General Physics and Astronomy, 010402 general chemistry, 01 natural sciences, Quantum chemistry, 0104 chemical sciences, Polyacetylene, chemistry.chemical_compound, chemistry, Excited state, 0103 physical sciences, Physical and Theoretical Chemistry, Atomic physics, Ground state, HOMO/LUMO, Mixing (physics)
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7
المؤلفون: Axel D. Becke
المصدر: Molecular Physics. 113:1884-1889
مصطلحات موضوعية: Chemistry, Avoided crossing, Biophysics, Electronic structure, Dihedral angle, Conical intersection, Condensed Matter Physics, Atomic orbital, Excited state, Density functional theory, Physical and Theoretical Chemistry, Atomic physics, Wave function, Molecular Biology
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8
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9
المؤلفون: Axel D. Becke
المصدر: The Journal of chemical physics. 145(19)
مصطلحات موضوعية: Physics, Work (thermodynamics), 010304 chemical physics, General Physics and Astronomy, 16. Peace & justice, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Connection (mathematics), Simple (abstract algebra), Quantum mechanics, Excited state, 0103 physical sciences, Density functional theory, Singlet state, Physical and Theoretical Chemistry, Adiabatic process, Excitation
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10
المؤلفون: Axel D. Becke
المصدر: The Journal of Chemical Physics. 150:241101
مصطلحات موضوعية: Physics, 010304 chemical physics, Exciton, General Physics and Astronomy, 010402 general chemistry, 01 natural sciences, Virial theorem, 0104 chemical sciences, Atomic orbital, Quantum mechanics, Excited state, 0103 physical sciences, Coulomb, Singlet state, Physics::Chemical Physics, Physical and Theoretical Chemistry, Basis set, Excitation