If you made any changes in Pure these will be visible here soon.

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 4 Similar Profiles
Density functional theory Chemical Compounds
Carbon Monoxide Chemical Compounds
Nickel Chemical Compounds
Ligands Chemical Compounds
density functional theory Physics & Astronomy
functionals Physics & Astronomy
Alkenes Chemical Compounds
Metals Chemical Compounds

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2002 2019

  • 1110 Citations
  • 19 h-Index
  • 81 Article
  • 1 Conference contribution

Influence of chelate ring type on chelate-chelate and chelate-aryl stacking: The case of nickel bis(dithiolene)

Malenov, D. P., Veljković, D. Z., Hall, M. B., Brothers, E. & Zarić, S. D., 1 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 3, p. 1198-1206 9 p.

Research output: Contribution to journalArticle


Tunable model promoters in DFT simulations of catalysts

Mahler, A., Panno, K., Janesko, B. G., Moncho Escriva, S. & Brothers, E., 1 Jan 2019, In : Journal of Computational Chemistry.

Research output: Contribution to journalArticle

Carbon Monoxide
Discrete Fourier transforms
1 Citation (Scopus)

Visible light absorption of surface-modified Al2O3 powders: A comparative DFT and experimental study

Ðorđević, V., Sredojević, D. N., Dostanić, J., Lončarević, D., Ahrenkiel, S. P., Švrakić, N., Brothers, E., Belić, M. & Nedeljković, J. M., 1 Jan 2019, In : Microporous and Mesoporous Materials. 273, p. 41-49 9 p.

Research output: Contribution to journalArticle

electromagnetic absorption
Light absorption
Density functional theory
Salicylic acid
2 Citations (Scopus)

Formic Acid Synthesis by CO2 Hydrogenation over Single-Atom Catalysts Based on Ru and Cu Embedded in Graphene

Sredojević, D. N., Šljivančanin, Ž., Brothers, E. & Belić, M. R., 7 Mar 2018, In : ChemistrySelect. 3, 9, p. 2631-2637 7 p.

Research output: Contribution to journalArticle

formic acid
1 Citation (Scopus)

On the Efficient Separation of Gas Mixtures with the Mixed-Linker Zeolitic-Imidazolate Framework-7-8

Krokidas, P., Moncho Escriva, S., Brothers, E., Castier, M., Jeong, H. K. & Economou, I., 21 Nov 2018, In : ACS Applied Materials and Interfaces. 10, 46, p. 39631-39644 14 p.

Research output: Contribution to journalArticle

Gas mixtures