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Works matching IS 00207608 AND DT 2003 AND VI 92 AND IP 3

Results: 5

1

Semiempirical local spin: Theory and implementation of the ZILSH method for predicting Heisenberg exchange constants of polynuclear transition metal complexes.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 3, p. 294, doi. 10.1002/qua.10513

By:

O'Brien, Ted A.;
Davidson, Ernest R.

Publication type:

Article

2

Microscopic mechanism for C<sub>60</sub> superconductivity.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 3, p. 261, doi. 10.1002/qua.10495

By:

March, Norman H.;
Squire, R. H.

Publication type:

Article

3

Use of the normal coordinates in variational and perturbative ab initio handling of the vibronic and spinorbit couplings in Π electronic states of linear tetra-atomic molecules.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 3, p. 276, doi. 10.1002/qua.10484

By:

Perić, Miljenko;
Stevanović, Ljiljana

Publication type:

Article

4

Functional groups expressed as graphs extracted from the Laplacian of the electron density.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 3, p. 326, doi. 10.1002/qua.10483

By:

Popelier, Paul L. A.;
Burke, James;
Malcolm, Nathaniel O. J.

Publication type:

Article

5

Ferromagnetic vs. nonmagnetic phases of 2-D Wigner electron crystal.

Published in:

International Journal of Quantum Chemistry, 2003, v. 92, n. 3, p. 337, doi. 10.1002/qua.10461

By:

Rajeswarapalanichamy, R.;
Iyakutti, K.

Publication type:

Article