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- 1.0536297 - ÚCHP 2021 RIV DE eng J - Journal Article
Cooper, D.L. - de Lange, J.H. - Ponec, Robert
Comparison of DAFH and FALDI‑like approaches.
Theoretical Chemistry Accounts. Roč. 139, č. 12 (2020), č. článku 179. ISSN 1432-881X. E-ISSN 1432-2234
Institutional support: RVO:67985858
Keywords : domain averaged Fermi hole (DAFH) analysis * delocalized and interatomic (FALDI) charge density decomposition * shared-electron distribution index (SEDI)
OECD category: Physical chemistry
Impact factor: 1.702, year: 2020
Method of publishing: Open access
file:///C:/Users/jirsova/AppData/Local/Temp/Cooper2020_Article_ComparisonOfDAFHAndFALDI-likeA.pdf
Permanent Link: http://hdl.handle.net/11104/0314094File Download Size Commentary Version Access TCA_DAFHvsFALDI.pdf 0 2 MB Publisher’s postprint open-access - 2.0349252 - ÚCHP 2011 RIV US eng J - Journal Article
Bultinck, P. - Cooper, D.L. - Ponec, Robert
The Influence of Atoms-in Molecules Methods on Shared Electron Distribution Indices and Domain Averaged Fermi Holes.
Journal of Physical Chemistry A. Roč. 114, č. 33 (2010), s. 8754-8763. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/09/0118
Institutional research plan: CEZ:AV0Z40720504
Keywords : shared electron distribution index * domain averaged fermi holes * atoms in molecules
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006083