Volume 116; Issue 4

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International Journal of Quantum Chemistry
Volume 116; Issue 4

International Journal of Quantum Chemistry

Volume 116; Issue 4

1

Quantum chemistry of organocuprates as intermediates of catalytic and photochemical reactions

Golubeva, Elena N., Gromov, Oleg I., Zhidomirov, Georgy M., Zubanova, Ekaterina M.

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 557 KB

english, 2016

2

Issue information

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 3.51 MB

english, 2016

3

Perspectives of geminal methods for large molecular systems

Tokmachev, Andrey M.

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 216 KB

english, 2016

4

Generalized relativistic effective core potentials for actinides

Mosyagin, Nikolai S., Zaitsevskii, Andrei V., Skripnikov, Leonid V., Titov, Anatoly V.

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 795 KB

english, 2016

5

Effective hamiltonian crystal field: Present status and applications to iron compounds

Tchougréeff, Andrei L., Soudackov, Alexander V., van Leusen, Jan, Kögerler, Paul, Becker, Klaus-Dieter, Dronskowski, Richard

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 1.00 MB

english, 2016

6

Cover Image, Volume 116, Issue 4

Journal:

International Journal of Quantum Chemistry

Year:

2016

File:

PDF, 4.89 MB

2016

7

Supermolecular design: From molecules to solid states

Minyaev, Ruslan M., Starikov, Andrey G., Minkin, Vladimir I.

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 734 KB

english, 2016

8

Many-body effects in optical response of graphene-based structures

Bulusheva, L. G., Sedelnikova, O. V., Okotrub, A. V.

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 1.07 MB

english, 2016

9

Carbonates in Zeolites: Formation, Properties, Reactivity

Rybakov, Andrey A., Bryukhanov, Ilya A., Larin, Alexander V., Zhidomirov, Georgy M.

Journal:

International Journal of Quantum Chemistry

Year:

2016

File:

PDF, 89 KB

2016

10

Application of DFT for the modeling of the valence region photoelectron spectra of boron and d-element complexes and macromolecules

Osmushko, Ivan S., Vovna, Vitaliy I., Tikhonov, Sergey A., Chizhov, Yuriy V., Krauklis, Irina V.

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 715 KB

english, 2016

11

Ab initio spin-dependent band structures of carbon nanotubes

D'yachkov, Pavel, Makaev, Dmitry

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 1.42 MB

english, 2016