++++ 1Taylor & Francis Online, 1SD, 1ACS, 1WILEY Спасибо!!!!

[jeka]

Уважаемые коллеги, помогите пожалуйста найти статьи:

1. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
S.F. Boysa, F. Bernardia
Molecular Physics Volume 19, Issue 4, 1970 pages 553-566

DOI:

http://dx.doi.org/10.1080/00268977000101561

2. Theoretical reaction pathways for the formation of [Si(OH)5]1− and the deprotonation of orthosilicic acid in basic solution
J.D. Kubicki, Y. Xiao and A.C. Lasaga
Geochimica et Cosmochimica Acta Volume 57, Issue 16, August 1993, Pages 3847-3853

DOI:

http://dx.doi.org/10.1016/0016-7037(93)90338-W

3. An Atomic Counterpoise Method for Estimating Inter- and Intramolecular Basis Set Superposition Errors
Frank Jensen
J. Chem. Theory Comput., 2010, 6 (1), pp 100–106

DOI:

http://dx.doi.org/10.1021/ct900436f

4. A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error
Joshua A. Plumley, J. J. Dannenberg
Journal of Computational Chemistry Volume 32, Issue 8, pages 1519–1527

DOI:

http://dx.doi.org/10.1002/jcc.21729

Заранее спасибо

[Rancid]

1-4.zip

[jeka]

Большое спасибо Rancid !!!!!!!!