Hermansson K - Search Results

1

H2O2(s) and H2O2·2H2O(s) crystals compared with ices: DFT functional assessment and D3 analysis.

Arismendi-Arrieta DJ, Sen A, Eriksson A, Broqvist P, Kullgren J, Hermansson K. Arismendi-Arrieta DJ, et al. Among authors: hermansson k. J Chem Phys. 2023 Nov 21;159(19):194701. doi: 10.1063/5.0145203. J Chem Phys. 2023. PMID: 37966002

2

Tuning the ORR activity of Pt-based Ti₂CO₂ MXenes by varying the atomic cluster size and doping with metals.

Zhang X , Zhang Y , Cheng C , Yang Z , Hermansson K . Zhang X , et al. Among authors: hermansson k. Nanoscale. 2020 Jun 21;12(23):12497-12507. doi: 10.1039/d0nr00048e. Epub 2020 Jun 4. Nanoscale. 2020. PMID: 32496491

3

Gender differences in outcome after stent treatment of lesions in the femoropopliteal segment.

Lindgren H, Gottsäter A, Hermansson K, Qvarfordt P, Bergman S. Lindgren H, et al. Among authors: hermansson k. Scand J Surg. 2012;101(3):177-83. doi: 10.1177/145749691210100307. Scand J Surg. 2012. PMID: 22968241

4

Hydration of some large and highly charged metal ions.

Sandström M, Persson I, Jalilehvand F, Lindquist-Reis P, Spångberg D, Hermansson K. Sandström M, et al. Among authors: hermansson k. J Synchrotron Radiat. 2001 Mar 1;8(Pt 2):657-9. doi: 10.1107/s0909049500014643. J Synchrotron Radiat. 2001. PMID: 11512885

5

Development and validation of a ReaxFF reactive force field for Cu cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases.

van Duin AC, Bryantsev VS, Diallo MS, Goddard WA, Rahaman O, Doren DJ, Raymand D, Hermansson K. van Duin AC, et al. Among authors: hermansson k. J Phys Chem A. 2010 Sep 9;114(35):9507-14. doi: 10.1021/jp102272z. J Phys Chem A. 2010. PMID: 20707333 Free PMC article.

6

A 1H and 13C NMR study of oligosaccharides from human milk. Application of the computer program CASPER.

Hermansson K, Jansson PE, Kenne L, Widmalm G, Lindh F. Hermansson K, et al. Carbohydr Res. 1992 Nov 4;235:69-81. doi: 10.1016/0008-6215(92)80079-g. Carbohydr Res. 1992. PMID: 1473113

7

Structural studies of the Vibrio cholerae O:5 O-antigen polysaccharide.

Hermansson K, Jansson PE, Holme T, Gustavsson B. Hermansson K, et al. Carbohydr Res. 1993 Oct 4;248:199-211. doi: 10.1016/0008-6215(93)84127-r. Carbohydr Res. 1993. PMID: 7504579

8

OD vibrations and hydration structure in an Al3+ (aq) solution from a Car-Parrinello molecular-dynamics simulation.

Amira S, Spångberg D, Hermansson K. Amira S, et al. Among authors: hermansson k. J Chem Phys. 2006 Mar 14;124(10):104501. doi: 10.1063/1.2131062. J Chem Phys. 2006. PMID: 16542082

9

Tuning LDA+U for electron localization and structure at oxygen vacancies in ceria.

Castleton CW, Kullgren J, Hermansson K. Castleton CW, et al. Among authors: hermansson k. J Chem Phys. 2007 Dec 28;127(24):244704. doi: 10.1063/1.2800015. J Chem Phys. 2007. PMID: 18163692

10

2D calculation of anharmonic OH vibrations in a layered hydroxide crystal.

Gajewski G, Mitev PD, Hermansson K. Gajewski G, et al. Among authors: hermansson k. J Chem Phys. 2008 Aug 14;129(6):064502. doi: 10.1063/1.2913518. J Chem Phys. 2008. PMID: 18715080

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