Combination of pseudopotentials and density functionals.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 113, doi. 10.1002/qua.560190111
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1981 AND VI 19 AND IP 1
Results: 16
1
2
Simple relationship between total molecular correlation energies and LMO sizes.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 25, doi. 10.1002/qua.560190104
- By:
- Publication type:
- Article
3
Uracil and the tautomer 4-hydroxyuracil: An ab initio study with geometry optimization.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 171, doi. 10.1002/qua.560190115
- By:
- Publication type:
- Article
4
Geometry of a quantal system.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 83, doi. 10.1002/qua.560190108
- By:
- Publication type:
- Article
5
Quantum mechanical calculations of vibrational transition probabilities in collinear atom-triatom collisions.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 105, doi. 10.1002/qua.560190110
- By:
- Publication type:
- Article
6
Axial gaussian-lobe orbitals: Optimization of highly angularly dependent functions.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 11, doi. 10.1002/qua.560190103
- By:
- Publication type:
- Article
7
Steady states and quasienergies of a system in an oscillating field within the perturbation configuration interaction method.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 163, doi. 10.1002/qua.560190114
- By:
- Publication type:
- Article
8
Scaled single-zeta basis set for use with a silicon effective potential: Generalized valence bond description of disilane.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 131, doi. 10.1002/qua.560190112
- By:
- Publication type:
- Article
9
Nonconservation of excitons as a mechanism of light-energy capturing.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 33, doi. 10.1002/qua.560190105
- By:
- Publication type:
- Article
10
Experimental designs for finding stationary points and for computing force constant matrix.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 139, doi. 10.1002/qua.560190113
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- Publication type:
- Article
11
Molecular properties and basis set quality: An approach based on information theory.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 43, doi. 10.1002/qua.560190106
- By:
- Publication type:
- Article
12
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. fmi, doi. 10.1002/qua.560190101
- Publication type:
- Article
13
The graph center concept for polycyclic graphs.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 61, doi. 10.1002/qua.560190107
- By:
- Publication type:
- Article
14
Simple technique to obtain correlated energy curves: LiH calculations.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 1, doi. 10.1002/qua.560190102
- By:
- Publication type:
- Article
15
Calculation of isoelectronic energy differences using perturbation theory.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 179, doi. 10.1002/qua.560190116
- By:
- Publication type:
- Article
16
Application of the strong-coupling correspondence principle to atom-triatom collinear collisions.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 19, n. 1, p. 95, doi. 10.1002/qua.560190109
- By:
- Publication type:
- Article