Works matching IS 00207608 AND DT 2005 AND VI 101 AND IP 4

Results: 8

Electronic Structure of NH+: An Ab Initio Study.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 396, doi. 10.1002/qua.20377

By:

Amero, José M.;
Vázquez, Gabriel J.

Publication type:

Article

Density Functional Calculations of 19F and 235U NMR Chemical Shifts in Uranium (VI) Chloride Fluorides UF6-nCln: Influence of the Relativistic Approximation and Role of the Exchange-Correlation Functional.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 372, doi. 10.1002/qua.20350

By:

Schreckenbach, Georg

Publication type:

Article

Effect of Glucocorticoids and Their Complexes With Apolipoprotein A-I on the Secondary Structure of Eukaryotic DNA.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 450, doi. 10.1002/qua.20200

By:

Panin, L. E.;
Kunitsyn, V. G.;
Tusikov, F. V.

Publication type:

Article

Theoretical Study of Energies, Structures, and Vibrational Spectra of the Carbonic Acid—Hydroperoxy Radical Complexes.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 381, doi. 10.1002/qua.20281

By:

Qu, Yuhui;
Bian, Xiufang;
Tang, Hongwei;
Si, Pengchao

Publication type:

Article

Computational Linear Dependence in Molecular Electronic Structure Calculations Using Universal Basis Sets.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 363, doi. 10.1002/qua.20275

By:

Moncrieff, D.;
Wilson, S.

Publication type:

Article

Entropy/Information Indices of the "Stockholder" Atoms-in-Molecules.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 349, doi. 10.1002/qua.20271

By:

Nalewajski, Roman F.;
Broniatowska, Elżbieta

Publication type:

Article

Superconducting First-Order Pairing: Finite-Temperature Simulations.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 411, doi. 10.1002/qua.20223

By:

Böhm, Michael C.;
Schulte, Joachim

Publication type:

Article

Charge at the Migrating Hydrogen in the Transition State of Hydride Transfer Reactions From CH Groups to Hydride Acceptors. Dynamics of the Redox-Couple NADH-NAD+.

Published in:

International Journal of Quantum Chemistry, 2005, v. 101, n. 4, p. 389, doi. 10.1002/qua.20282

By:

Buck, Henk

Publication type:

Article

Works matching IS 00207608 AND DT 2005 AND VI 101 AND IP 4

Electronic Structure of NH<sup>+</sup>: An Ab Initio Study.

Density Functional Calculations of <sup>19</sup>F and <sup>235</sup>U NMR Chemical Shifts in Uranium (VI) Chloride Fluorides UF<sub>6-n</sub>Cl<sub>n</sub>: Influence of the Relativistic Approximation and Role of the Exchange-Correlation Functional.

Effect of Glucocorticoids and Their Complexes With Apolipoprotein A-I on the Secondary Structure of Eukaryotic DNA.

Theoretical Study of Energies, Structures, and Vibrational Spectra of the Carbonic Acid—Hydroperoxy Radical Complexes.

Computational Linear Dependence in Molecular Electronic Structure Calculations Using Universal Basis Sets.

Entropy/Information Indices of the "Stockholder" Atoms-in-Molecules.

Superconducting First-Order Pairing: Finite-Temperature Simulations.

Charge at the Migrating Hydrogen in the Transition State of Hydride Transfer Reactions From CH Groups to Hydride Acceptors. Dynamics of the Redox-Couple NADH-NAD<sup>+</sup>.