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Synonyms were used for: Density functional theory
Search without synonyms: keywords:("Density functional theory")
Used synonyms:
- density function theory
- dichte funktional theorie
- dichtefunktionaltheorie
- dichtefunktionstheorie
-
Polarizability of fullerene [2+2]-dimers: a DFT study
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
Pseudopotentials for high-throughput DFT calculations
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
Metal dopants in HfO2-based RRAM: first principle study
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
A quantum Monte Carlo study on electron correlation in all-metal aromatic clusters MAl4− (M = Li, Na, K, Rb, Cu, Ag and Au)
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions
Tema Archive | 2015|Keywords: Dichte-Funktional-Theorie -
Revealing the tunable photoluminescence properties of graphene quantum dots
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
Hydrogen storage using Na-decorated graphyne and its boron nitride analog
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory
Tema Archive | 2015|Keywords: Dichte-Funktional-Theorie -
Role of the third element in accelerating Fe diffusivities in Cu from first principles
Tema Archive | 2015|Keywords: Dichte-Funktional-Theorie -
Giant magnetoresistance and spin Seebeck coefficient in zigzag α-graphyne nanoribbons
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie, Dichtefunktionaltheorie -
A first principles investigation of zinc induced embrittlement at grain boundaries in bcc iron
Tema Archive | 2015|Keywords: Dichte-Funktional-Theorie -
Hydrogen adsorption on and diffusion through MoS2 monolayer: First-principles study
Tema Archive | 2012|Keywords: Dichte-Funktional-Theorie -
Density functional study on the ferromagnetism of alkaline earth doped InN
Tema Archive | 2015|Keywords: Dichte-Funktional-Theorie -
Clustering of H and He, and their effects on vacancy evolution in tungsten in a fusion environment
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
Ab initio study on the adsorption of oxygen on Co(111) and its subsurface incorporation
Tema Archive | 2015|Keywords: Dichte-Funktional-Theorie -
First-principles investigation in the Raman and infrared spectra of sp3 carbon allotropes
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
The $ C_{i} $$ O_{i} $($ Si_{I} $)2 defect in silicon: density functional theory calculations
Free accessOnline Contents | 2017|Keywords: Density Functional Theory Calculation, Employ Density Functional Theory, Plane Wave Density Functional Theory, Density Functional Theory Code -
Atomic electron affinities and the role of symmetry between electron addition and subtraction in a corrected Koopmans approach
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie -
The formulation of a constricted variational density functional theory for double excitations
Taylor & Francis Verlag | 2014|Keywords: density functional theory, time-dependent density functional theory, constricted density functional theory -
Electronic and transport properties of porous graphenes: two-dimensional benzo- and aza-fused π-conjugated-microporous-polymer sheets and boron–nitrogen co-doped derivatives
Tema Archive | 2014|Keywords: Dichte-Funktional-Theorie
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