Works matching IS 16102940 AND DT 2007 AND VI 13 AND IP 4

Results: 8

CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and Pyrazinamide.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 505, doi. 10.1007/s00894-007-0170-2

By:

Alejandra Favila;
Marco Gallo;
Daniel Glossman-Mitnik

Publication type:

Article

Computational study of enantioselective interaction between C60 fullerene and its derivatives with L-histidine.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 531, doi. 10.1007/s00894-007-0179-6

By:

Bhajan Lal

Publication type:

Article

Quantum chemical study of the mechanism of ethylene elimination in silylative coupling of olefins.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 477

By:

Bogdan Marciniec

Publication type:

Article

3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 519, doi. 10.1007/s00894-007-0173-z

By:

Yogesh Aher;
Avantika Agrawal;
Prasad Bharatam;
Prabha Garg

Publication type:

Article

Aromatic C20F20 cage and its endohedral complexes X@C20F20 (X = H−, F−, Cl−, Br−, H, He).

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 499, doi. 10.1007/s00894-007-0169-8

By:

Cai-Yun Zhang;
Hai-Shun Wu;
Haijun Jiao

Publication type:

Article

QSAR models for predicting the activity of non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists derived from erythromycin A using quantum chemical properties.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 465

By:

Michael Fernández;
Julio Caballero

Publication type:

Article

Cold-active enzymes studied by comparative molecular dynamics simulation.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 485, doi. 10.1007/s00894-006-0164-5

By:

Vojtěch Spiwok;
Petra Lipovová;
Tereza Skálová;
Jarmila Dušková;
Jan Dohnálek;
Jindřich Hašek;
Nicholas Russell;
Blanka Králová

Publication type:

Article

Adsorption and phase transitions in adsorbed systems: structural properties of CCl4 layers adsorbed on a graphite surface.

Published in:

Journal of Molecular Modeling, 2007, v. 13, n. 4, p. 537, doi. 10.1007/s00894-007-0171-1

By:

Marcin Marzec;
Bogdan Kuchta;
Lucyna Firlej

Publication type:

Article

Works matching IS 16102940 AND DT 2007 AND VI 13 AND IP 4

CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, Isoniazid and Pyrazinamide.

Computational study of enantioselective interaction between C<sub>60</sub> fullerene and its derivatives with L-histidine.

Quantum chemical study of the mechanism of ethylene elimination in silylative coupling of olefins.

3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists.

Aromatic C<sub>20</sub>F<sub>20</sub> cage and its endohedral complexes X@C<sub>20</sub>F<sub>20</sub> (X = H<sup>−</sup>, F<sup>−</sup>, Cl<sup>−</sup>, Br<sup>−</sup>, H, He).

QSAR models for predicting the activity of non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists derived from erythromycin A using quantum chemical properties.

Cold-active enzymes studied by comparative molecular dynamics simulation.

Adsorption and phase transitions in adsorbed systems: structural properties of CCl<sub>4</sub> layers adsorbed on a graphite surface.