Analytical gradients of the second-order Møller-Plesset energy using Cholesky decompositions.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 321, doi. 10.1002/qua.24563
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2014 AND VI 114 AND IP 5
Results: 10
1
2
Cover Image, Volume 114, Issue 5.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. i, doi. 10.1002/qua.24608
- Publication type:
- Article
3
Israfil I. Guseinov: A pioneer of the quantum theory of atomic, molecular, and nuclear systems*.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 361, doi. 10.1002/qua.24574
- By:
- Publication type:
- Article
4
Valence orbital response to methylation of uracil.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 314, doi. 10.1002/qua.24562
- By:
- Publication type:
- Article
5
Investigation of the change in the electronic properties of FeF<sub>3</sub> by the introduction of oxygen using a molecular orbital method.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 340, doi. 10.1002/qua.24566
- By:
- Publication type:
- Article
6
Quantum mechanical approaches to structurally informed design.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 305, doi. 10.1002/qua.24561
- By:
- Publication type:
- Article
7
Backbiting and β-scission reactions in free-radical polymerization of methyl acrylate.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 345, doi. 10.1002/qua.24572
- By:
- Publication type:
- Article
8
Theoretical studies of complexes between Hg(II) ions and l-cysteinate amino acids.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 333, doi. 10.1002/qua.24565
- By:
- Publication type:
- Article
9
Theoretical investigations on the superhalogen properties and interaction of PdO<sub> n</sub> ( n = 1-5) species.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. 328, doi. 10.1002/qua.24564
- By:
- Publication type:
- Article
10
Inside Cover, Volume 114, Issue 5.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 5, p. iii, doi. 10.1002/qua.24609
- Publication type:
- Article