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Dissecting the bond-formation process of d10-metal–ethene complexes with multireference approaches.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1726-3
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Effect of composition and distribution on structural and surface electronic properties of palladium–gold bimetallic nanoparticles: a density functional theory investigation.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1727-2
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- Article
Structural and spectral properties of tartrato complexes of vanadium(V) from quantum chemical calculations.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1719-2
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First-principles study of trimethylamine adsorption on anatase TiO2 nanorod surfaces.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1721-8
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Benchmarks of graph invariants for hydrogen-bond networks in water clusters of different topology.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1720-9
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- Article
Excitation energies from time-dependent generalized valence bond method.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1718-3
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- Article
Atoms and bonds in molecules: topology and properties.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1717-4
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- Article
Hydrocarbon chains and rings: bond length alternation in finite molecules.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1709-4
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- Article