+++3xJCTC +++1PCCP +++1Wiley

[ambivalentno]

Добрый день, помогите пожалуйста со следующими статьями:

1.Evaluation of Density Functionals and Basis Sets for Carbohydrates
Gbor I. Csonka, Alfred D. French, Glenn P. Johnson‡ and Carlos A. Stortz
J. Chem. Theory Comput., 2009, 5 (4), pp 679–692

DOI:

http://dx.doi.org/10.1021/ct8004479

2. Some Fundamental Issues in Ground-State Density Functional Theory: A Guide for the Perplexed
John P. Perdew, Adrienn Ruzsinszky, Lucian A. Constantin, Jianwei Sun and Gbor I. Csonka
J. Chem. Theory Comput., 2009, 5 (4), pp 902–908

DOI:

http://dx.doi.org/10.1021/ct800531s

3. Integration Grid Errors for Meta-GGA-Predicted Reaction Energies: Origin of Grid Errors for the M06 Suite of Functionals
Steven E. Wheeler and K. N. Houk
J. Chem. Theory Comput., 2010, 6 (2), pp 395–404

DOI:

http://dx.doi.org/10.1021/ct900639j

4. Relative Energy Computations with Approximate Density Functional Theory - A Caveat!
Peter R. Schreiner, Prof. Dr.
Angewandte Chemie International Edition
Volume 46 Issue 23, Pages 4217 - 4219

DOI:

http://dx.doi.org/10.1002/anie.200700386

5. The role of exchange in systematic DFT errors for some organic reactions
David R. B. Brittain, Ching Yeh Lin, Andrew T. B. Gilbert, Ekaterina I. Izgorodina, Peter M. W. Gill and Michelle L. Coote
Phys. Chem. Chem. Phys., 2009, 11, 1138 - 1142,

DOI:

http://dx.doi.org/10.1039/b818412g

Заранее огромнейшая благодарность!

[Bomber]

4

[ambivalentno]

Спасибо!

[Abwer]

ю

[ambivalentno]

Спасибо, спасибо, спасибо!