- Standort
-
Deutsche Nationalbibliothek Frankfurt am Main
- Umfang
-
Online-Ressource
- Sprache
-
Englisch
- Anmerkungen
-
In: https://doi.org/10.1021/acs.inorgchem.0c02907
In: https://doi.org/10.1021/acs.inorgchem.1c03453
In: https://doi.org/10.1021/acs.jctc.3c00165
In: https://doi.org/10.1039/d3cp05556f
In: https://doi.org/10.1002/chem.202302662
Bonn, Rheinische Friedrich-Wilhelms-Universität, Dissertation, 2024
- Schlagwort
-
NMR-Spektroskopie
Dichtefunktionalformalismus
Quantenchemie
Computational chemistry
Ab-initio-Rechnung
- Ereignis
-
Veröffentlichung
- (wo)
-
Bonn
- (wer)
-
Universitäts- und Landesbibliothek Bonn
- (wann)
-
2024
- Urheber
-
Kleine Büning, Julius Benedikt
- Beteiligte Personen und Organisationen
-
Grimme, Stefan
Bredow, Thomas
- Handle
-
20.500.11811/11550
- URN
-
urn:nbn:de:hbz:5-76089
- Rechteinformation
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Letzte Aktualisierung
-
14.08.2025, 10:44 MESZ
Datenpartner
Dieses Objekt wird bereitgestellt von:
Deutsche Nationalbibliothek. Bei Fragen zum Objekt wenden Sie sich bitte an den Datenpartner.
Deutsche Nationalbibliothek. Bei Fragen zum Objekt wenden Sie sich bitte an den Datenpartner.
Beteiligte
- Kleine Büning, Julius Benedikt
- Grimme, Stefan
- Bredow, Thomas
- Universitäts- und Landesbibliothek Bonn
Entstanden
- 2024
Ähnliche Objekte (12)
Theoretical investigation of one- two- and three-dimensional Li diffusion in solids
Defect Formation Thermodynamics of (A, A ′) (B, B ′) O 3 (A = Mg,Ca,Sr and B = Ti,Mn,Cr,Fe,Mo) Perovskites
Effect of Surface Energetics on Phase Stability of CaMnO 3
Surfaces of VO 2 ‐Polymorphs: Structure, Stability and the Effect of Doping
Modelling of anion transport in YZrON
Effect of Doping on Rutile TiO 2 Surface Stability and Crystal Shapes
Li Diffusion in Various Polymorphs of LiTiS2 : Insights from Theory
Improving the OER Activity of Titania Via Doping and Adlayers
Exploiting Phase Transitions in Catalysis: Adsorption of CO on doped VO 2 ‐Polymorphs
Oxygen Defect Formation Thermodynamics of CaMnO 3: A Closer Look
GW ‐BSE Calculations of Electronic Band Gap and Optical Spectrum of ZnFe 2 O 4: Effect of Cation Distribution and Spin Configuration
Mechanochemical synthesis and crystal structure evaluation of Na 2 ZnSnS 4
Theoretical investigation of one- two- and three-dimensional Li diffusion in solids
Defect Formation Thermodynamics of (A, A ′) (B, B ′) O 3 (A = Mg,Ca,Sr and B = Ti,Mn,Cr,Fe,Mo) Perovskites
Effect of Surface Energetics on Phase Stability of CaMnO 3
Surfaces of VO 2 ‐Polymorphs: Structure, Stability and the Effect of Doping
Modelling of anion transport in YZrON
Effect of Doping on Rutile TiO 2 Surface Stability and Crystal Shapes
Li Diffusion in Various Polymorphs of LiTiS2 : Insights from Theory
Improving the OER Activity of Titania Via Doping and Adlayers
Exploiting Phase Transitions in Catalysis: Adsorption of CO on doped VO 2 ‐Polymorphs
Oxygen Defect Formation Thermodynamics of CaMnO 3: A Closer Look
GW ‐BSE Calculations of Electronic Band Gap and Optical Spectrum of ZnFe 2 O 4: Effect of Cation Distribution and Spin Configuration
Mechanochemical synthesis and crystal structure evaluation of Na 2 ZnSnS 4
Theoretical investigation of one- two- and three-dimensional Li diffusion in solids
Defect Formation Thermodynamics of (A, A ′) (B, B ′) O 3 (A = Mg,Ca,Sr and B = Ti,Mn,Cr,Fe,Mo) Perovskites
Effect of Surface Energetics on Phase Stability of CaMnO 3
Surfaces of VO 2 ‐Polymorphs: Structure, Stability and the Effect of Doping
Modelling of anion transport in YZrON
Effect of Doping on Rutile TiO 2 Surface Stability and Crystal Shapes
Li Diffusion in Various Polymorphs of LiTiS2 : Insights from Theory
Improving the OER Activity of Titania Via Doping and Adlayers
Exploiting Phase Transitions in Catalysis: Adsorption of CO on doped VO 2 ‐Polymorphs
Oxygen Defect Formation Thermodynamics of CaMnO 3: A Closer Look
GW ‐BSE Calculations of Electronic Band Gap and Optical Spectrum of ZnFe 2 O 4: Effect of Cation Distribution and Spin Configuration