Systematic dependence of transition-metal coordination energies on density-functional parametrizations.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 2, p. 90, doi. 10.1002/qua.24800
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2015 AND VI 115 AND IP 2
Results: 9
1
2
Competition between halogen bond and hydrogen bond in complexes of superalkali Li<sub>3</sub>S and halogenated acetylene XCCH (X = F, Cl, Br, and I).
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 2, p. 99, doi. 10.1002/qua.24802
- By:
- Publication type:
- Article
3
Molecule-adapted basis sets optimized with a quantum Monte Carlo method.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 2, p. 77, doi. 10.1002/qua.24752
- By:
- Publication type:
- Article
4
Cover Image, Volume 115, Issue 2.
- Published in:
- 2015
- Publication type:
- Other
5
Inside Cover, Volume 115, Issue 2.
- Published in:
- 2015
- Publication type:
- Other
6
Theoretical mechanism for selective catalysis of ruthenium complex catalyzed hydroboration of terminal alkynes to Z-vinylboronates.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 2, p. 59, doi. 10.1002/qua.24791
- By:
- Publication type:
- Article
7
Theoretical study of the decomposition mechanism of a series of group III triazides X(N<sub>3</sub>)<sub>3</sub> (X = B, Al, Ga).
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 2, p. 68, doi. 10.1002/qua.24793
- By:
- Publication type:
- Article
8
From planes to cluster: The design of polynitrogen molecules.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 2, p. 84, doi. 10.1002/qua.24799
- By:
- Publication type:
- Article
9
Issue information.
- Published in:
- 2015
- Publication type:
- Other