+++J. Phys. Chem. A, Phys. Chem. Chem. Phys.

[efremov]

Очень нужны статьи:

1. "Benchmarking Experimental and Computational Thermochemical Data: A Case Study of the Butane Conformers" J. Chem. Theory Comput., 2012, 8 (2), pp 479–486

Код: Выделить всё

http://pubs.acs.org/doi/abs/10.1021/ct2007956

2. "What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?" J. Phys. Chem. A, 2013, 117 (14), pp 3118–3132

Код: Выделить всё

http://pubs.acs.org/doi/abs/10.1021/jp401429u

3. "Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine" Phys. Chem. Chem. Phys., 2013,15, 10094-10111

Код: Выделить всё

http://dx.doi.org/10.1039/C3CP50439E

4. "Characterization of the Elusive Conformers of Glycine from State-of-the-Art Structural, Thermodynamic, and Spectroscopic Computations: Theory Complements Experiment" . Chem. Theory Comput., 2013, 9 (3), pp 1533–1547

Код: Выделить всё

http://dx.doi.org/10.1021/ct3010672

5. "Glycine conformers: a never-ending story?" Phys. Chem. Chem. Phys., 2013,15, 1358-1363

Код: Выделить всё

http://dx.doi.org/10.1039/C2CP43884D

6. "A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems" J. Chem. Phys. 136, 154101 (2012)

Код: Выделить всё

http://dx.doi.org/10.1063/1.3700154

[Viksya]

Авторов в следующий раз указывайте.

[efremov]

Спасибо!