ACNP - Italian Periodicals Catalogue

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Results: 1-11 |

Results: 11

Mechanism of the addition reaction of alkyl azides to [60]fullerene and the subsequent N-2 extrusion to form monoimino-[60]fullerenes

Authors: Cases, M Duran, M Mestres, J Martin, N Sola, M

Citation: M. Cases et al., Mechanism of the addition reaction of alkyl azides to [60]fullerene and the subsequent N-2 extrusion to form monoimino-[60]fullerenes, J ORG CHEM, 66(2), 2001, pp. 433-442

Gaussian-based alignment of protein structures: Deriving a consensus superposition when alternative solutions exist

Authors: Mestres, J

Citation: J. Mestres, Gaussian-based alignment of protein structures: Deriving a consensus superposition when alternative solutions exist, J MOL MODEL, 6(7-8), 2000, pp. 539-549

Interpretation of molecular intracule and extracule density distributions in terms of valence bond structures: Two-electron systems and processes

Authors: Fradera, X Duran, M Mestres, J

Citation: X. Fradera et al., Interpretation of molecular intracule and extracule density distributions in terms of valence bond structures: Two-electron systems and processes, J PHYS CH A, 104(36), 2000, pp. 8445-8454

Authors: Mestres, J Knegtel, RMA

Citation: J. Mestres et Rma. Knegtel, Similarity versus docking in 3D virtual screening, PERSP DR D, 20(1), 2000, pp. 191-207

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching

Authors: Mestres, J Rohrer, DC Maggiora, GM

Citation: J. Mestres et al., A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching, J COMPUT A, 14(1), 2000, pp. 39-51

Authors: Fradera, X Knegtel, RMA Mestres, J

Citation: X. Fradera et al., Similarity-driven flexible ligand docking, PROTEINS, 40(4), 2000, pp. 623-636

Atomic transferability within the exchange-correlation density

Authors: Fradera, X Duran, M Mestres, J

Citation: X. Fradera et al., Atomic transferability within the exchange-correlation density, J COMPUT CH, 21(15), 2000, pp. 1361-1374

The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions

Authors: Fradera, X Duran, M Mestres, J

Citation: X. Fradera et al., The mapping of the local contributions of Fermi and Coulomb correlation into intracule and extracule density distributions, J CHEM PHYS, 113(7), 2000, pp. 2530-2543

Comparative electronic analysis between hydrogen transfers in the CH4/CH3+, CH4/CH3o, and CH4/CH3- systems: on the electronic nature of the hydrogen (H-, H-o, H+) being transferred. II. Analysis of electron-pair interactionsfrom intracule and extracule densities

Authors: Fradera, X Duran, M Mestres, J

Citation: X. Fradera et al., Comparative electronic analysis between hydrogen transfers in the CH4/CH3+, CH4/CH3o, and CH4/CH3- systems: on the electronic nature of the hydrogen (H-, H-o, H+) being transferred. II. Analysis of electron-pair interactionsfrom intracule and extracule densities, CAN J CHEM, 78(3), 2000, pp. 328-337

A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors

Authors: Mestres, J Rohrer, DC Maggiora, GM

Citation: J. Mestres et al., A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors, J COMPUT A, 13(1), 1999, pp. 79-93

Exploring the possibility of a bimolecular reaction channel for the F2SS/FSSF rearrangement process

Authors: Mestres, J Fores, M Sola, M

Citation: J. Mestres et al., Exploring the possibility of a bimolecular reaction channel for the F2SS/FSSF rearrangement process, THEOCHEM, 455(2-3), 1998, pp. 123-129

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