Works matching IS 00207608 AND DT 2000 AND VI 78 AND IP 2

Results: 12

DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters Bn (n=3–8,10).

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 131, doi. 10.1002/(SICI)1097-461X(2000)78:2<131::AID-QUA6>3.0.CO;2-3

By:

Reis, H.;
Papadopoulos, M. G.;
Boustani, I.

Publication type:

Article

Electronic structures and long‐range electron transfer through DNA molecules.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 112, doi. 10.1002/(SICI)1097-461X(2000)78:2<112::AID-QUA5>3.0.CO;2-5

By:

Ye, Yuan‐Jie;
Jiang, Yan

Publication type:

Article

Theoretical study on intermolecular interaction of epoxyethane dimer.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 94, doi. 10.1002/(SICI)1097-461X(2000)78:2<94::AID-QUA3>3.0.CO;2-C

By:

Li, Jinshan;
Xiao, Heming;
Dong, Haishan

Publication type:

Article

Master formulas for two‐ and three‐center one‐electron integrals involving Cartesian GTO, STO, and BTO.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 83, doi. 10.1002/(SICI)1097-461X(2000)78:2<83::AID-QUA2>3.0.CO;2-J

By:

Fernández Rico, J.;
Fernández, J. J.;
Ema, I.;
López, R.;
Ramírez, G.

Publication type:

Article

Cayleyan 𝒮n‐encoded SU(2)×𝒮n↓𝒢 embeddings: Nuclear spin permutation symmetries via polyhedral lattice‐point models, for modulo‐i χ(𝒞i(𝒮n↓𝒢)) combinatorial invariance sets

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 71, doi. 10.1002/(SICI)1097-461X(2000)78:2<71::AID-QUA1>3.0.CO;2-T

By:

Temme, F. P.

Publication type:

Article

Electronic structure and conformation of aniline and meta‐chloroaniline dimers.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 99, doi. 10.1002/(SICI)1097-461X(2000)78:2<99::AID-QUA4>3.0.CO;2-V

By:

Mora, M. A.;
Galicia, Laura;
Vázquez, Humberto

Publication type:

Article

Cayleyan 𝒮.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 71, doi. 10.1002/(SICI)1097-461X(2000)78:2<71::AID-QUA1>3.0.CO;2-T

By:

Temme, F. P.

Publication type:

Article

Electronic structures and long-range electron transfer through DNA molecules.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 112, doi. 10.1002/(SICI)1097-461X(2000)78:2<112::AID-QUA5>3.0.CO;2-5

By:

Ye, Yuan‐Jie;
Jiang, Yan

Publication type:

Article

Electronic structure and conformation of aniline and meta-chloroaniline dimers.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 99, doi. 10.1002/(SICI)1097-461X(2000)78:2<99::AID-QUA4>3.0.CO;2-V

By:

Mora, M. A.;
Galicia, Laura;
Vázquez, Humberto

Publication type:

Article

Theoretical study on intermolecular interaction of epoxyethane dimer.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 94, doi. 10.1002/(SICI)1097-461X(2000)78:2<94::AID-QUA3>3.0.CO;2-C

By:

Li, Jinshan;
Xiao, Heming;
Dong, Haishan

Publication type:

Article

Master formulas for two- and three-center one-electron integrals involving Cartesian GTO, STO, and BTO.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 83, doi. 10.1002/(SICI)1097-461X(2000)78:2<83::AID-QUA2>3.0.CO;2-J

By:

Fernández Rico, J.;
Fernández, J. J.;
Ema, I.;
López, R.;
Ramírez, G.

Publication type:

Article

DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters B.

Published in:

International Journal of Quantum Chemistry, 2000, v. 78, n. 2, p. 131, doi. 10.1002/(SICI)1097-461X(2000)78:2<131::AID-QUA6>3.0.CO;2-3

By:

Reis, H.;
Papadopoulos, M. G.;
Boustani, I.

Publication type:

Article

Works matching IS 00207608 AND DT 2000 AND VI 78 AND IP 2

DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters B<sub>n</sub> (n=3–8,10).

Electronic structures and long‐range electron transfer through DNA molecules.

Theoretical study on intermolecular interaction of epoxyethane dimer.

Master formulas for two‐ and three‐center one‐electron integrals involving Cartesian GTO, STO, and BTO.

Cayleyan 𝒮<sub>n</sub>‐encoded SU(2)×𝒮<sub>n</sub>↓𝒢 embeddings: Nuclear spin permutation symmetries via polyhedral lattice‐point models, for modulo‐i χ(𝒞<sub>i</sub>(𝒮<sub>n</sub>↓𝒢)) combinatorial invariance sets

Electronic structure and conformation of aniline and meta‐chloroaniline dimers.

Cayleyan 𝒮.

Electronic structures and long-range electron transfer through DNA molecules.

Electronic structure and conformation of aniline and meta-chloroaniline dimers.

Theoretical study on intermolecular interaction of epoxyethane dimer.

Master formulas for two- and three-center one-electron integrals involving Cartesian GTO, STO, and BTO.

DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters B.