+++ infоrmаwоrld (1) + J. Chеm. Phys. (11)

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Здравствуйте, уважаемые коллеги!

Помогите, пожалуйста, со следующими публикациями:


infоrmаwоrld

1) New Hollow SiO2 Clusters: Structure, Energy and Electronic Characteristics
V. I. Artyukhov; L. A. Chernozatonskii
Fullerenes, Nanotubes and Carbon Nanostructures, Volume 14, Issue 2 & 3 December 2006 , pages 545 - 550

Код: Выделить всё

http://dx.doi.org/10.1080/15363830600666670

J. Chеm. Phys.

2) Mechanisms for the ozonolysis of ethene and propene: Reliability of quantum chemical predictions
Wai-To Chan and I. P. Hamilton
J. Chem. Phys. 118 1688 (2003)

Код: Выделить всё

http://dx.doi.org/10.1063/1.1531104

3) Geometry and spin-multiplicity of half-sandwich type transition-metal-benzene complexes
F. Rabilloud
J. Chem. Phys. 122, 134303 (2005)

Код: Выделить всё

http://dx.doi.org/10.1063/1.1867434

4) Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions
Yan Zhao, Nathan E. Schultz, and D. G. Truhlar
J. Chem. Phys. 123 161103 (2005)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2126975

5) Post-transition state dynamics for propene ozonolysis: Intramolecular and unimolecular dynamics of molozonide
Grigoriy Vayner, Srirangam V. Addepalli, Kihyung Song, and William L. Hase
J. Chem. Phys. 125 014317 (2006)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2206785

6) A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
Yan Zhao and Donald G. Truhlar
J. Chem. Phys. 125 194101 (2006)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2370993

7) Performance of density functionals for first row transition metal systems
Kasper P. Jensen Björn O. Roos and Ulf Ryde
J. Chem. Phys. 126, 014103 (2007)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2406071

On the performance of local, semilocal, and nonlocal exchange-correlation functionals on transition metal molecules
A. Ramírez-Solís
J. Chem. Phys. 126, 224105 (2007)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2739539

9) Why does the B3LYP hybrid functional fail for metals?
Joachim Paier, Martijn Marsman, and Georg Kresse
J. Chem. Phys. 127, 024103 (2007)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2747249

10) A comparative assessment of the perturbative and renormalized coupled cluster theories with a noniterative treatment of triple excitations for thermochemical kinetics, including a study of basis set and core correlation effects
Jingjing Zheng, Jeffrey R. Gour, Jesse J. Lutz, Marta Wloch, Piotr Piecuch, and Donald G. Truhlar
J. Chem. Phys. 128 044108 (2008)

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http://dx.doi.org/10.1063/1.2825596

11) The electronic structure and energetics of V+-benzene half-sandwiches of different multiplicities: Comparative multireference and single-reference theoretical study
Pavel M. Polestshuk, Piotr I. Dem'yanov, and Ilya G. Ryabinkin
J. Chem. Phys. 129 054307 (2008)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2955741

12) Good performance of the M06 family of hybrid meta generalized gradient approximation density functionals on a difficult case: CO adsorption on MgO(001)
Rosendo Valero, José R. B. Gomes, Donald G. Truhlar, and Francesc Illas
J. Chem. Phys. 129 124710 (2008)

Код: Выделить всё

http://dx.doi.org/10.1063/1.2982923

Заранее благодарю

[VOVAN CIR]

1

sorry, остальные позже... нужно бежать

[Abwer]

2,3,4,5

[Abwer]

решта

[SSR]

VOVAN CIR и Abwer, большое спасибо!