TY  - JOUR
AU  - Bogdanović, Goran A.
AU  - Bonjakovic-Pavlović, Nada
AU  - Spasojević-de Bire, Anne
AU  - Ghermani, Nour Eddine
AU  - Mioč, Ubavka B.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3220
AB  - The X-ray structure of ammonium decavanadate hexahydrate was redetermined at a low temperature (100 K) in order to locate the hydrogen sites and to study the hydrogen bonds. The hydrogen atoms were assigned to the appropriate atomic group, NH4+ cations, and water molecules, missing to the best of our knowledge in the literature. A kappa refinement was performed to estimate the experimental atomic charges. These charges were used to generale the electrostatic potential on the molecular surfaces of decavanadate polyanions isolated from the influence of the crystal lattice. Comparisons with previous theoretical (ab initio) calculations were made and are also discussed.
T2  - Journal of the Serbian Chemical Society
T1  - Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O
VL  - 72
IS  - 6
SP  - 545
EP  - 554
DO  - 10.2298/JSC0706545B
ER  - 

@article{
author = "Bogdanović, Goran A. and Bonjakovic-Pavlović, Nada and Spasojević-de Bire, Anne and Ghermani, Nour Eddine and Mioč, Ubavka B.",
year = "2007",
abstract = "The X-ray structure of ammonium decavanadate hexahydrate was redetermined at a low temperature (100 K) in order to locate the hydrogen sites and to study the hydrogen bonds. The hydrogen atoms were assigned to the appropriate atomic group, NH4+ cations, and water molecules, missing to the best of our knowledge in the literature. A kappa refinement was performed to estimate the experimental atomic charges. These charges were used to generale the electrostatic potential on the molecular surfaces of decavanadate polyanions isolated from the influence of the crystal lattice. Comparisons with previous theoretical (ab initio) calculations were made and are also discussed.",
journal = "Journal of the Serbian Chemical Society",
title = "Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O",
volume = "72",
number = "6",
pages = "545-554",
doi = "10.2298/JSC0706545B"
}

Bogdanović, G. A., Bonjakovic-Pavlović, N., Spasojević-de Bire, A., Ghermani, N. E.,& Mioč, U. B.. (2007). Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O. in Journal of the Serbian Chemical Society, 72(6), 545-554.
https://doi.org/10.2298/JSC0706545B

Bogdanović GA, Bonjakovic-Pavlović N, Spasojević-de Bire A, Ghermani NE, Mioč UB. Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O. in Journal of the Serbian Chemical Society. 2007;72(6):545-554.
doi:10.2298/JSC0706545B .

Bogdanović, Goran A., Bonjakovic-Pavlović, Nada, Spasojević-de Bire, Anne, Ghermani, Nour Eddine, Mioč, Ubavka B., "Low temperature crystal structure, experimental atomic charges and electrostatic potential of ammonium decavanadate hexahydrate (NH4)V10O28 center dot 6H(2)O" in Journal of the Serbian Chemical Society, 72, no. 6 (2007):545-554,
https://doi.org/10.2298/JSC0706545B . .