Analytical gradients for Singer's multicenter n-electron explicitly correlated Gaussians.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 82, n. 4, p. 151, doi. 10.1002/qua.1034
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2001 AND VI 82 AND IP 4
Results: 7
1
2
Quadrupole coupling constants C<sub>QQ</sub> for <sup>2</sup>H, <sup>27</sup>Al, and <sup>17</sup>O atoms calculated at the periodic Hartree-Fock level for understanding the geometry of H-form aluminosilicates.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 82, n. 4, p. 182, doi. 10.1002/qua.1038
- By:
- Publication type:
- Article
3
Preopening of the DNA base pairs.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 82, n. 4, p. 193, doi. 10.1002/qua.1040
- By:
- Publication type:
- Article
4
Book review.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 82, n. 4, p. 207, doi. 10.1002/qua.1033
- By:
- Publication type:
- Article
5
Phthalocyanoiron complex with bridged ligands. Electronic structure of monomers and polymers.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 82, n. 4, p. 170, doi. 10.1002/qua.1037
- By:
- Publication type:
- Article
6
Book review.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 82, n. 4, p. 205, doi. 10.1002/qua.1032
- By:
- Publication type:
- Article
7
Computed electrostatic potentials and average local ionization energies on the molecular surfaces of some tetracyclines.
- Published in:
- International Journal of Quantum Chemistry, 2001, v. 82, n. 4, p. 160, doi. 10.1002/qua.1031
- By:
- Publication type:
- Article