Works matching IS 00207608 AND DT 2002 AND VI 87 AND IP 4

Results: 10

On Uniform (1≤Ii≤3) n‐fold {∣IouterM(i1⋅⋅⋅in)〉} dual tensorial sets, spin irreps from SU(3≤m)×𝒮n⊃⋅⋅⋅⊃𝒮n weight sets: a direct role for 𝒩(λ⊢n)‐partitional catalogs of 𝒮n combinatorics in spin physics

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 171, doi. 10.1002/qua.1113

By:

Temme, F. P.

Publication type:

Article

Theoretical study of the structural, vibrational, and topologic properties of the charge distribution of the molecular complexes between thiophene and Brönsted acid sites of zeolites.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 240, doi. 10.1002/qua.1087

By:

Soscún, Humberto;
Castellano, Olga;
Hernández, Javier;
Hinchliffe, Alan

Publication type:

Article

Gyroscopic tensor ab initio calculation of the molecular crystals: (Mo6X14)2−Y−(TTF+)3 (X=Br, Cl and Y=Br, Cl, I).

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 220, doi. 10.1002/qua.1073

By:

Dhouib, A.;
Essalah, K.;
Tangour, B.;
Abderraba, M.

Publication type:

Article

Information distance analysis of molecular electron densities.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 198, doi. 10.1002/qua.10100

By:

Nalewajski, Roman F.;
Świtka, Elžbieta;
Michalak, Artur

Publication type:

Article

Structural and electronic properties of La‐doped CaTiO3 crystal.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 225, doi. 10.1002/qua.10069

By:

Erazo, Franklin;
Stashans, Arvids

Publication type:

Article

The bonding character of AlSO isomers in quartet excited states: Ab initio and density functional theory studies.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 181, doi. 10.1002/qua.10035

By:

Bu, Yuxiang

Publication type:

Article

Dynamics of primary charge separation in bacterial photosynthesis using the multilevel Redfield–Davies secular approach.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 254, doi. 10.1002/qua.10033

By:

Sadygov, Rovshan G.;
Neuhauser, Daniel

Publication type:

Article

Reducing search time for optimal geometry of small molecular clusters.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 232, doi. 10.1002/qua.10024

By:

Steen, Kay J.;
Smith, Lars Erik

Publication type:

Article

Minimum cross‐entropy estimation of internally folded densities from Compton profiles.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 214, doi. 10.1002/qua.10012

By:

Antolín, J.;
Cuchí, J. C.;
Angulo, J. C.

Publication type:

Article

An investigation on the reaction mechanism of the F2+Cl2→2ClF using the B3LYP method.

Published in:

International Journal of Quantum Chemistry, 2002, v. 87, n. 4, p. 192, doi. 10.1002/qua.10011

By:

Wang, Zun Yao;
Gong, Xue Dong;
Li, Jin Shan;
Xiao, He Ming

Publication type:

Article

Works matching IS 00207608 AND DT 2002 AND VI 87 AND IP 4

Theoretical study of the structural, vibrational, and topologic properties of the charge distribution of the molecular complexes between thiophene and Brönsted acid sites of zeolites.

Gyroscopic tensor ab initio calculation of the molecular crystals: (Mo<sub>6</sub>X<sub>14</sub>)<sup>2−</sup>Y<sup>−</sup>(TTF<sup>+</sup>)<sub>3</sub> (X=Br, Cl and Y=Br, Cl, I).

Information distance analysis of molecular electron densities.

Structural and electronic properties of La‐doped CaTiO<sub>3</sub> crystal.

The bonding character of AlSO isomers in quartet excited states: Ab initio and density functional theory studies.

Dynamics of primary charge separation in bacterial photosynthesis using the multilevel Redfield–Davies secular approach.

Reducing search time for optimal geometry of small molecular clusters.

Minimum cross‐entropy estimation of internally folded densities from Compton profiles.

An investigation on the reaction mechanism of the F<sub>2</sub>+Cl<sub>2</sub>→2ClF using the B3LYP method.