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Matulis, Vitaly E., Ivaskevich, Oleg A. (2006) Comparative DFT study of electronic structure and geometry of copper and silver clusters: Interaction with NO molecule. Computational Materials Science, 35 (3). 268-271 doi:10.1016/j.commatsci.2004.08.011

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Reference TypeJournal (article/letter/editorial)
TitleComparative DFT study of electronic structure and geometry of copper and silver clusters: Interaction with NO molecule
JournalComputational Materials Science
AuthorsMatulis, Vitaly E.Author
Ivaskevich, Oleg A.Author
Year2006 (March)Volume35
Issue3
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2004.08.011Search in ResearchGate
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Mindat Ref. ID9504243Long-form Identifiermindat:1:5:9504243:1
GUID0
Full ReferenceMatulis, Vitaly E., Ivaskevich, Oleg A. (2006) Comparative DFT study of electronic structure and geometry of copper and silver clusters: Interaction with NO molecule. Computational Materials Science, 35 (3). 268-271 doi:10.1016/j.commatsci.2004.08.011
Plain TextMatulis, Vitaly E., Ivaskevich, Oleg A. (2006) Comparative DFT study of electronic structure and geometry of copper and silver clusters: Interaction with NO molecule. Computational Materials Science, 35 (3). 268-271 doi:10.1016/j.commatsci.2004.08.011
In(2006, March) Computational Materials Science Vol. 35 (3) Elsevier BV

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Matulis, Vitaly E, Ivashkevich, Oleg A, Gurin, Valerij S (2004) DFT study of electronic structure and geometry of anionic copper clusters. Journal of Molecular Structure: THEOCHEM, 681. 169-176 doi:10.1016/j.theochem.2004.05.017
Matulis, Vitaly E, Ivashkevich, Oleg A, Gurin, Valerij S (2003) DFT study of electronic structure and geometry of neutral and anionic silver clusters. Journal of Molecular Structure: THEOCHEM, 664. 291-308 doi:10.1016/j.theochem.2003.10.003
Matulis, Vitaly E., Mazheika, Aliaksei S., Ivashkevich, Oleg A. (2008) DFT study of electronic structure and geometry of anionic silver clusters (n=11, 12, 17). Journal of Molecular Structure: THEOCHEM, 850. 61-66 doi:10.1016/j.theochem.2007.10.016
Matulis, Vitaly E., Palagin, Dennis M., Mazheika, Aliaksei S., Ivashkevich, Oleg A. (2008) DFT study of electronic structure and geometry of anionic copper clusters (n=11,12,13). Journal of Molecular Structure: THEOCHEM, 857. 66-71 doi:10.1016/j.theochem.2008.02.005
Matulis, Vitaly E., Ivashkevich, Oleg A., Lappo, Daniil D., Lyakhov, Dmitry A., Michels, Dominik (2023) Comparative DFT Study of Small Anionic Silver and Copper Clusters: Evolution of Structure and Physicochemical Properties. The Journal of Physical Chemistry C, 127 (38) 18997-19016 doi:10.1021/acs.jpcc.3c03844
Matulis, Vitaly E., Palagin, Dennis M., Mazheika, Aliaksei S., Ivashkevich, Oleg A. (2011) Theoretical study of NO adsorption on neutral, anionic and cationic Ag8 clusters. Computational and Theoretical Chemistry, 963 (2). 422-426 doi:10.1016/j.comptc.2010.11.008
Ricardo-Chávez, J.L., Pastor, G.M. (2006) Structural properties of small copper clusters with a nickel impurity. Computational Materials Science, 35 (3). 311-315 doi:10.1016/j.commatsci.2004.10.010
Yurtsever, E., Sebastianelli, F., Gianturco, F.A. (2006) Fragmentation dynamics of Ne3+ clusters: A classical trajectory study. Computational Materials Science, 35 (3). 163-168 doi:10.1016/j.commatsci.2005.05.002
Häkkinen, Hannu, Moseler, Michael (2006) 55-Atom clusters of silver and gold: Symmetry breaking by relativistic effects. Computational Materials Science, 35 (3). 332-336 doi:10.1016/j.commatsci.2004.08.017
Matulis, Vitaly E., Ragoyja, Ekaterina G., Ivashkevich, Oleg A., Lyakhov, Dmitry A., Michels, Dominik (2021) DFT Study of NO Reduction Process on Ag/γ-Al2O3 Catalyst: Some Aspects of Mechanism and Catalyst Structure. The Journal of Physical Chemistry C, 125 (1) 419-426 doi:10.1021/acs.jpcc.0c08417
Arab, Ali, Ziari, Fatemeh, Fazli, Mostafa (2016) Electronic structure and reactivity of (TiO2) (n= 1–10) nano-clusters: Global and local hardness based DFT study. Computational Materials Science, 117. 90-97 doi:10.1016/j.commatsci.2016.01.031
 
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