++3 статьи ACS,+++ 3 RSC

[ambivalentno]

Добрый день. Пожалуйста, помогите со следующими статьями:

1.Reaction Force and Its Link to Diabatic Analysis: A Unifying Approach to Analyzing Chemical Reactions
Peter Politzer, Jeffrey R. Reimers, Jane S. Murray, and Alejandro Toro-Labb
J. Phys. Chem. Lett., 2010, 1 (19), pp 2858–2862

DOI:

http://dx.doi.org/10.1021/jz101135y

2.A Reliable and Efficient First Principles-Based Method for Predicting pKa Values. 1. Methodology
Shuming Zhang, Jon Baker and Peter Pulay
J. Phys. Chem. A, 2010, 114 (1), pp 425–431

DOI:

http://dx.doi.org/10.1021/jp9067069

3.“In silico” mechanistic studies as predictive tools in microwave-assisted organic synthesis
A. M. Rodriguez, P. Prieto, A. de la Hoz and A. Díaz-Ortiz
Org. Biomol. Chem., 2011, 9, 2371-2377

DOI:

http://dx.doi.org/10.1039/C0OB01037E

4.How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals
Luis Simón and Jonathan M. Goodman
Org. Biomol. Chem., 2011, 9, 689-700

DOI:

http://dx.doi.org/10.1039/C0OB00477D

5. Insights on the mechanism of proton transfer reactions in amino acids
Fernanda Duarte, Esteban Vöhringer-Martinez and Alejandro Toro-Labbé
Phys. Chem. Chem. Phys., 2011

DOI:

http://dx.doi.org/10.1039/C0CP02076A

6. Computational Analysis of the Mechanism of Chemical Reactions in Terms of Reaction Phases: Hidden Intermediates and Hidden Transition States
Elfi Kraka and Dieter Cremer
Acc. Chem. Res., 2010, 43 (5), pp 591–601

DOI:

http://dx.doi.org/10.1021/ar900013p

Заранее спасибо!

[macro]

3-5

[macro]

1,2,6

[ambivalentno]

Спасибо!