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First-principles computation of material properties: the ABINIT software project
X. Gonze , J. -M. Beukena, R. Caracasa, F. Detrauxa, M. Fuchsa,
Computational Materials Science
Volume 25, Issue 3, November 2002, Pages 478-492
- DOI:
http://dx.doi.org/10.1016/S0927-0256(02)00325-7
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Grimme S
J. Comput. Chem., V. 27, p.1787 (2006)
- DOI:
http://dx.doi.org/10.1002/jcc.20495
Accurate description of van der Waals complexes by density functional theory including empirical corrections
Grimme S
J. Comput. Chem., V. 25, p.1463 (2004)
- DOI:
http://dx.doi.org/10.1002/jcc.20078
Hydrodynamic modeling of diffusion tensor properties of flexible molecules
Vincenzo Barone , Mirco Zerbetto, Antonino Polimeno
J. Comput. Chem., V. 30, 2-13 (2009)
- DOI:
http://dx.doi.org/10.1002/jcc.21007
Ab-initio study on the exciton binding energies in organic semiconductors
K. Hummer, P. Puschnig, S. Sagmeister, and C. Ambrosch-Draxl,
Mod. Phys. Lett. B 20 261-280 (2006)
- DOI:
http://dx.doi.org/10.1142/S0217984906010603
Interplay between edge-to-face aromatic and hydrogen-bonding interactions.
Escudero D, Frontera A, Quiñonero D, Deyà PM.
J Phys Chem A. 2008 3;112(26):6017-22.
- DOI:
http://dx.doi.org/10.1002/jcc.21031