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1كتاب إلكتروني
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المؤلفون: Valera Veryazov, Per-Åke Malmqvist, Björn O. Roos
المصدر: International Journal of Quantum Chemistry. 111:3329-3338
مصطلحات موضوعية: Field (physics), Chemistry, Condensed Matter Physics, Quantum chemistry, Atomic and Molecular Physics, and Optics, Set (abstract data type), Algebra, Development (topology), Atomic orbital, Quantum mechanics, Complete active space, Physical and Theoretical Chemistry, Perturbation theory, Quantum
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المؤلفون: Benjamin Villeroy, Per-Åke Malmqvist, António Pereira Gonçalves, C. Godart, Björn O. Roos, Joaquim Marçalo, Cláudia C. L. Pereira, Xuefeng Wang, Lester Andrews
المصدر: Journal of the American Chemical Society. 132:8484-8488
مصطلحات موضوعية: Chemistry, General Chemistry, Triple bond, Biochemistry, Bond order, Diatomic molecule, Catalysis, Bond length, Colloid and Surface Chemistry, Molecule, Single bond, Molecular orbital, Atomic physics, Ground state
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المؤلفون: Marcin Brynda, Björn O. Roos, Laura Gagliardi, G. La Macchia, Tanya K. Todorova, Francesco Aquilante, G. Li Manni
المصدر: Inorganic Chemistry, Vol. 49, No 11 (2010) pp. 5216-5222
مصطلحات موضوعية: Steric effects, Ligand, Stereochemistry, Bond order, Inorganic Chemistry, Bond length, chemistry.chemical_compound, chemistry, ddc:540, Theoretical chemistry, Pi interaction, Physical and Theoretical Chemistry, Bimetallic strip, Quintuple bond
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المؤلفون: João Paulo Gobbo, Antonio Carlos Borin, Björn O. Roos
المصدر: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USPمصطلحات موضوعية: Crystallography, Transition metal, Chemical bond, Chemistry, Computational chemistry, FÍSICO-QUÍMICA, General Physics and Astronomy, Molecule, Electronic structure, State (functional analysis), Physical and Theoretical Chemistry, Ground state, Electronic states
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المؤلفون: Michal Pitonak, Valera Veryazov, Björn O. Roos, Francesco Aquilante, Roland Lindh, Pavel Neogrády, Luca De Vico, Markus Reiher, Luis Serrano-Andrés, Per-Åke Malmqvist, Miroslav Urban, Thomas Bondo Pedersen, Giovanni Ghigo, Nicolas Ferré
المصدر: Journal of Computational Chemistry. 31:224-247
مصطلحات موضوعية: 010304 chemical physics, Field (physics), Basis (linear algebra), Photochemistry, Computer science, Context (language use), General Chemistry, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Computational Mathematics, Coupled cluster, Atomic orbital, Computational chemistry, 0103 physical sciences, Quantum Theory, Statistical physics, Perturbation theory (quantum mechanics), Wave function, Algorithms, Software, Cholesky decomposition
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المؤلفون: Björn O. Roos, Valentina Vetere, Pascale Maldivi, Carlo Adamo
المصدر: The Journal of Physical Chemistry A. 113:14760-14765
مصطلحات موضوعية: Formalism (philosophy of mathematics), Covalent bond, Oxidation state, Chemistry, Rare earth, Theoretical chemistry, Physical chemistry, Electronic structure, Complete active space, Physical and Theoretical Chemistry, Atomic physics, Electrostatics
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المؤلفون: Björn O. Roos, Per E. M. Siegbahn, Margareta R. A. Blomberg
المصدر: International Journal of Quantum Chemistry. 18:229-247
مصطلحات موضوعية: Valence (chemistry), Chemistry, Gaussian, chemistry.chemical_element, Condensed Matter Physics, Atomic and Molecular Physics, and Optics, STO-nG basis sets, symbols.namesake, Atomic orbital, symbols, Physical and Theoretical Chemistry, Atomic physics, Beryllium, Ground state, Valence electron, Basis set
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المؤلفون: Björn O. Roos
المصدر: International Journal of Quantum Chemistry. 18:175-189
مصطلحات موضوعية: Physics, Valence (chemistry), Condensed Matter Physics, Atomic and Molecular Physics, and Optics, Fock space, symbols.namesake, Dipole, Atomic orbital, Fock matrix, Computational chemistry, Quantum mechanics, Quadrupole, symbols, Complete active space, Physical and Theoretical Chemistry, Debye