Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

196 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
GPAW: An open Python package for electronic structure calculations.
Mortensen JJ, Larsen AH, Kuisma M, Ivanov AV, Taghizadeh A, Peterson A, Haldar A, Dohn AO, Schäfer C, Jónsson EÖ, Hermes ED, Nilsson FA, Kastlunger G, Levi G, Jónsson H, Häkkinen H, Fojt J, Kangsabanik J, Sødequist J, Lehtomäki J, Heske J, Enkovaara J, Winther KT, Dulak M, Melander MM, Ovesen M, Louhivuori M, Walter M, Gjerding M, Lopez-Acevedo O, Erhart P, Warmbier R, Würdemann R, Kaappa S, Latini S, Boland TM, Bligaard T, Skovhus T, Susi T, Maxson T, Rossi T, Chen X, Schmerwitz YLA, Schiøtz J, Olsen T, Jacobsen KW, Thygesen KS. Mortensen JJ, et al. Among authors: hakkinen h. J Chem Phys. 2024 Mar 7;160(9):092503. doi: 10.1063/5.0182685. J Chem Phys. 2024. PMID: 38450733
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method.
Enkovaara J, Rostgaard C, Mortensen JJ, Chen J, Dułak M, Ferrighi L, Gavnholt J, Glinsvad C, Haikola V, Hansen HA, Kristoffersen HH, Kuisma M, Larsen AH, Lehtovaara L, Ljungberg M, Lopez-Acevedo O, Moses PG, Ojanen J, Olsen T, Petzold V, Romero NA, Stausholm-Møller J, Strange M, Tritsaris GA, Vanin M, Walter M, Hammer B, Häkkinen H, Madsen GK, Nieminen RM, Nørskov JK, Puska M, Rantala TT, Schiøtz J, Thygesen KS, Jacobsen KW. Enkovaara J, et al. Among authors: hakkinen h. J Phys Condens Matter. 2010 Jun 30;22(25):253202. doi: 10.1088/0953-8984/22/25/253202. Epub 2010 Jun 10. J Phys Condens Matter. 2010. PMID: 21393795
A density functional investigation of thiolate-protected bimetal PdAu(24)(SR)(18)(z) clusters: doping the superatom complex.
Kacprzak KA, Lehtovaara L, Akola J, Lopez-Acevedo O, Häkkinen H. Kacprzak KA, et al. Among authors: hakkinen h. Phys Chem Chem Phys. 2009 Sep 7;11(33):7123-9. doi: 10.1039/b904491d. Epub 2009 Jun 11. Phys Chem Chem Phys. 2009. PMID: 19672520
The results are compared to properties of the well-understood singly anionic pure gold complex Au(25)(SR)(18)((-1)) [J. Akola, M. Walter, H. Hakkinen and H. Gronbeck, J. Am. Chem. Soc., 2008, 130, 3756]. The atomic structure of this all-gold complex can be wr …
The results are compared to properties of the well-understood singly anionic pure gold complex Au(25)(SR)(18)((-1)) [J. Akola, M. Walter, …
Electronic and vibrational signatures of the Au102(p-MBA)44 cluster.
Hulkko E, Lopez-Acevedo O, Koivisto J, Levi-Kalisman Y, Kornberg RD, Pettersson M, Häkkinen H. Hulkko E, et al. Among authors: hakkinen h. J Am Chem Soc. 2011 Mar 23;133(11):3752-5. doi: 10.1021/ja111077e. Epub 2011 Feb 24. J Am Chem Soc. 2011. PMID: 21348523
196 results