Works matching IS 1432881X AND DT 2015 AND VI 134 AND IP 10
Results: 8
Effect of composition and distribution on structural and surface electronic properties of palladium–gold bimetallic nanoparticles: a density functional theory investigation.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1727-2
- By:
- Publication type:
- Article
Dissecting the bond-formation process of d10-metal–ethene complexes with multireference approaches.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1726-3
- By:
- Publication type:
- Article
First-principles study of trimethylamine adsorption on anatase TiO2 nanorod surfaces.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1721-8
- By:
- Publication type:
- Article
Benchmarks of graph invariants for hydrogen-bond networks in water clusters of different topology.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1720-9
- By:
- Publication type:
- Article
Structural and spectral properties of tartrato complexes of vanadium(V) from quantum chemical calculations.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1719-2
- By:
- Publication type:
- Article
Excitation energies from time-dependent generalized valence bond method.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1718-3
- By:
- Publication type:
- Article
Atoms and bonds in molecules: topology and properties.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1717-4
- By:
- Publication type:
- Article
Hydrocarbon chains and rings: bond length alternation in finite molecules.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 10, p. 1, doi. 10.1007/s00214-015-1709-4
- By:
- Publication type:
- Article