Ab initio study of low-lying electronic states of the FNO<sub>2</sub> molecule.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 51, doi. 10.1002/qua.560450108
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 1993 AND VI 45 AND IP 1
Results: 14
1
2
Variational principle for transition matrix.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 71, doi. 10.1002/qua.560450110
- By:
- Publication type:
- Article
3
Computation of auxiliary functions in STO molecular integrals up to arbitrary accuracy. I. evaluation of incomplete gamma function E<sub>n</sub>( x) by forward recursion.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 3, doi. 10.1002/qua.560450103
- By:
- Publication type:
- Article
4
Announcement.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 115, doi. 10.1002/qua.560450114
- Publication type:
- Article
5
To(Γ) phonons in GaAs under uniaxial strain.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 43, doi. 10.1002/qua.560450107
- By:
- Publication type:
- Article
6
International journal of quantum chemistry-a journal devoted to quantum theory and computations in chemistry, condensed matter physics, and biology. Editorial-program and policies.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 1, doi. 10.1002/qua.560450102
- By:
- Publication type:
- Article
7
Closure property for free electrons.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 105, doi. 10.1002/qua.560450113
- By:
- Publication type:
- Article
8
The C<sup>2</sup>-DIIS convergence acceleration algorithm.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 31, doi. 10.1002/qua.560450106
- By:
- Publication type:
- Article
9
Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. fmi, doi. 10.1002/qua.560450101
- Publication type:
- Article
10
AM1 calculation of hydration to aldehyde group in nitro-substituted benzaldehydes.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 97, doi. 10.1002/qua.560450112
- By:
- Publication type:
- Article
11
Benchmark values for two-center Coulomb integrals over slater-type orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 21, doi. 10.1002/qua.560450105
- By:
- Publication type:
- Article
12
Multiple time scale Hartree-Fock molecular dynamics.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 59, doi. 10.1002/qua.560450109
- By:
- Publication type:
- Article
13
Hylleraas- CI with linked correlation terms.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 87, doi. 10.1002/qua.560450111
- By:
- Publication type:
- Article
14
X-NO<sub>2</sub> rotational energy barriers: Local density functional calculations.
- Published in:
- International Journal of Quantum Chemistry, 1993, v. 45, n. 1, p. 15, doi. 10.1002/qua.560450104
- By:
- Publication type:
- Article