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How does the ambiguity of the electronic stress tensor influence its ability to reveal the atomic shell structure
Authors: Finzel, K.; Kohout, M.
Date of Publication (YYYY-MM-DD): 2013-09-15
Title of Journal: Theoretical Chemistry Accounts
Volume: 132
Issue / Number: 11
Start Page: 1392-1
End Page: 1392-13
Sequence Number of Article: 1392
Document Type: Article
ID: 670761.0


A Position-Space View on Chemical Bonding in Metal Diborides with AlB2 Type of Crystal Structure
Authors: Wagner, F. R.; Baranov, A. I.; Grin, Y.; Kohout, M.
Date of Publication (YYYY-MM-DD): 2013-09-05
Title of Journal: Zeitschrift für Anorganische und Allgemeine Chemie
Volume: 639
Issue / Number: 11 Sp. Iss. SI
Start Page: 2025
End Page: 2035
Document Type: Article
ID: 671360.0


Domain-averaged Fermi-hole analysis for solids
Authors: Baranov, A. I.; Ponec, R.; Kohout, M.
Date of Publication (YYYY-MM-DD): 2012-12-06
Title of Journal: Journal of Chemical Physics
Volume: 137
Start Page: 214109-1
End Page: 214109-12
Sequence Number of Article: 214109
Document Type: Article
ID: 631426.0


TM7TM′6B8 (TM = Ta, Nb; TM′ = Ru, Rh, Ir): New Compounds with [B6] Ring Polyanions
Authors: Zheng, Q.; Kohout, M.; Gumeniuk, R.; Abramchuk, N.; Borrmann, H.; Prots, Y.; Burkhardt, U.; Schnelle, W.; Akselrud, L.; Gu, H.; Leithe-Jasper, A.; Grin, Y.
Date of Publication (YYYY-MM-DD): 2012-06-22
Title of Journal: Inorganic Chemistry
Volume: 51
Issue / Number: 14
Start Page: 7472
End Page: 7483
Document Type: Article
ID: 611306.0


Chemical bonding descriptors based on electron density inhomogeneity measure: a comparison with ELI-D
Authors: Finzel, K.; Grin, Y.; Kohout, M.
Date of Publication (YYYY-MM-DD): 2012-02-09
Title of Journal: Theoretical Chemistry Accounts
Volume: 131
Issue / Number: 2
Start Page: 1
End Page: 8
Sequence Number of Article: 1106
Document Type: Article
ID: 598031.0


Beyond standard charge density topological analyses
Authors: Pendás, A. M.; Kohout, M.; Blanco, M. A.; Francisco, E.
Title of Book: Modern charge-density analysis
Start Page: 303
End Page: 358
Place of Publication: Dordrecht; Heidelberg [u.a.]
Publisher: Springer
Date of Publication (YYYY-MM-DD): 2012-01-19
Document Type: InBook
ID: 581561.0


Electron localization and delocalization indices for solids
Authors: Baranov, A. I.; Kohout, M.
Date of Publication (YYYY-MM-DD): 2011-04-29
Title of Journal: Journal of Computational Chemistry
Volume: 32
Issue / Number: 10
Start Page: 2064
End Page: 2076
Document Type: Article
ID: 563781.0


Atomic shell structure based on inhomogeneity measures of the electron density
Authors: Wagner, K.; Kohout, M.
Date of Publication (YYYY-MM-DD): 2011-03-26
Title of Journal: Theoretical Chemistry Accounts
Volume: 128
Issue / Number: 1
Start Page: 39
End Page: 46
Document Type: Article
ID: 528791.0


Sr2Ni3—A Strontium Subnickelide?
Authors: Höhn, P.; Agrestini, S.; Baranov, A.; Hoffmann, S.; Kohout, M.; Nitsche, F.; Wagner, F. R.; Kniep, R.
Date of Publication (YYYY-MM-DD): 2011-02-15
Title of Journal: Chemistry - A European Journal
Volume: 17
Issue / Number: 12
Start Page: 3347
End Page: 3351
Document Type: Article
ID: 547480.0


Electron Localizability Indicators ELI-D and ELIA for Highly Correlated Wavefunctions of Homonuclear Dimers. II. N2, O2, F2, and Ne2
Authors: Bezugly, V.; Wielgus, P.; Kohout, M.; Wagner, F. R.
Date of Publication (YYYY-MM-DD): 2010-09-01
Title of Journal: Journal of Computational Chemistry
Volume: 31
Issue / Number: 12
Start Page: 2273
End Page: 2285
Document Type: Article
ID: 491007.0