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Exploring magnetocaloric materials by ab-initio methods

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Rafael Martinho Vieira
Uppsala Dissertations from the Faculty of Science and Technology2024Publicationer information ikon

Ab initio study of oxygen point defects in GaAs, and AIN

Referentgranskad
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DOI
10.1103/PhysRevB.54.16676
Mattila, T.; Nieminen, R.M.
Physical Review B1996Publicationer information ikon

Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface

Referentgranskad
DOI
10.1039/c4cp02375g
Chen, Jian-Cheng; Reischl, Bernhard; Spijker, Peter; Holmberg, Nico; Laasonen, Kari; Foster, Adam S.
Physical chemistry chemical physics2014Publicationer information ikon

Ab initio molecular dynamics

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Laasonen, Kari
SPRINGER2013Publicationer information ikon

Ab initio study of properties of Co- and Cu- Doped Ni-Mn-Ga alloys

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DOI
10.1016/j.matpr.2015.07.356
Zelený, M.; Sozinov, A.; Björkman, T.; Straka, L.; Nieminen, R. M.
Materials today : proceedings2015Publicationer information ikon

o-Alkyl-substituted aromatic phosphanes for hydroformylation studies: synthesis, spectroscopic characterization and ab initio investigations

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Riihimäki, Helena; Suomalainen, Pekka; Reinius, Heidi; Suutari, Johanna; Jääskeläinen, Sirpa; Krause...
Journal of Molecular Catalysis A: Chemical2003Publicationer information ikon

Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path

Referentgranskad
DOI
10.1103/PhysRevB.83.184424
Zelený, M.; Friák, M.; Sob, M.
Physical Review B2011Publicationer information ikon

Paramagnetic NMR chemical shift theory : combined ab initio/density-functional theory method

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Rouf, Syed Awais
Report series in physical sciences2017Publicationer information ikon

Ab initio vibrations in nonequilibrium nanowires

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DOI
10.1088/1742-6596/220/1/012010
Jauho, Antti-Pekka; Engelund, M.; Markussen, T.; Brandbyge, M.
Journal of Physics: Conference Series2010Publicationer information ikon

The HKrCCHCO2 complex:an ab initio and matrix-isolation study

Referentgranskad
DOI
10.1039/c8cp04327b
Ryazantsev, Sergey V.; Tyurin, Daniil A.; Nuzhdin, Kirill B.; Feldman, Vladimir I.; Khriachtchev, Le...
Physical Chemistry Chemical Physics2019

Exploring magnetocaloric materials by ab-initio methods

Öppen tillgång
2024

Ab initio study of oxygen point defects in GaAs, and AIN

Referentgranskad
Öppen tillgång
DOI
10.1103/PhysRevB.54.16676
1996

Ab initio Kinetic Monte Carlo simulations of dissolution at the NaCl-water interface

Referentgranskad
DOI
10.1039/c4cp02375g
2014

Ab initio molecular dynamics

Referentgranskad
2013

Ab initio study of properties of Co- and Cu- Doped Ni-Mn-Ga alloys

Referentgranskad
Öppen tillgång
DOI
10.1016/j.matpr.2015.07.356
2015

o-Alkyl-substituted aromatic phosphanes for hydroformylation studies: synthesis, spectroscopic characterization and ab initio investigations

Referentgranskad
2003

Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path

Referentgranskad
DOI
10.1103/PhysRevB.83.184424
2011

Paramagnetic NMR chemical shift theory : combined ab initio/density-functional theory method

Öppen tillgång
2017

Ab initio vibrations in nonequilibrium nanowires

Referentgranskad
DOI
10.1088/1742-6596/220/1/012010
2010

The HKrCCHCO2 complex:an ab initio and matrix-isolation study

Referentgranskad
DOI
10.1039/c8cp04327b
2019