Works matching IS 00207608 AND DT 1998 AND VI 67 AND IP 5

Results: 8

Erratum: Conformational analysis of polypeptide chains with the aid of density of states calculations.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 341, doi. 10.1002/(SICI)1097-461X(1998)67:5<341::AID-QUA8>3.0.CO;2-V

By:

Jacchieri, Saul G.

Publication type:

Article

Ab initio assessment of the electronic structure of 5α-reduced progestins.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 329, doi. 10.1002/(SICI)1097-461X(1998)67:5<329::AID-QUA6>3.0.CO;2-X

By:

Kubli-Garfias, Carlos

Publication type:

Article

Efficient algorithm for the spin-free valence bond theory. I. New strategy and primary expressions.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 287, doi. 10.1002/(SICI)1097-461X(1998)67:5<287::AID-QUA2>3.0.CO;2-R

By:

Wu, Wei;
Wu, Anan;
Mo, Yirong;
Lin, Menghai;
Zhang, Qianer

Publication type:

Article

Geometrically active atomic states and the formation of molecules in their normal shapes.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 321, doi. 10.1002/(SICI)1097-461X(1998)67:5<321::AID-QUA5>3.0.CO;2-X

By:

Nicolaides, Cleanthes A.;
Komninos, Yannis

Publication type:

Article

On the use of symmetry-adapted crystalline orbitals in SCF-LCAO periodic calculations. II. Implementation of the self-consistent-field scheme and examples.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 311, doi. 10.1002/(SICI)1097-461X(1998)67:5<311::AID-QUA4>3.0.CO;2-Y

By:

Zicovich-Wilson, C. M.;
Dovesi, R.

Publication type:

Article

Quantum dynamics with Lanczos subspace propagation: Application to a laser-driven molecular system.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 273, doi. 10.1002/(SICI)1097-461X(1998)67:5<273::AID-QUA1>3.0.CO;2-S

By:

Guiang, Chona S.;
Wyatt, Robert E.

Publication type:

Article

On the use of symmetry-adapted crystalline orbitals in SCF-LCAO periodic calculations. I. The construction of the symmetrized orbitals.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 299, doi. 10.1002/(SICI)1097-461X(1998)67:5<299::AID-QUA3>3.0.CO;2-Q

By:

Zicovich-Wilson, C. M.;
Dovesi, R.

Publication type:

Article

Dynamics of molecules and chemical reactions.

Published in:

International Journal of Quantum Chemistry, 1998, v. 67, n. 5, p. 339, doi. 10.1002/(SICI)1097-461X(1998)67:5<339::AID-QUA7>3.0.CO;2-W

By:

Deumens, Erik

Publication type:

Article