Monografie
Methoden zur Beschreibung von chemischen Strukturen beliebiger Dimensionalität mit der Dichtefunktionaltheorie unter periodischen Randbedingungen
- Sprache
-
Deutsch
- Anmerkungen
-
Berlin, Humboldt Universität zu Berlin, Diss., 2011
- Identifier
-
1017797021
Thema
Quantenchemie; Hochschulschrift
Beteiligte Personen und Organisationen
- URN
- Rechteinformation
-
Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Letzte Aktualisierung
-
26.01.2023, 13:54 MEZ
Objekttyp
- Monografie
Beteiligte
- Burow, Asbjörn Manfred
- Sauer, Joachim
- Furche, Filipp Ulrich
- Sierka, Marek
Ähnliche Objekte (12)
Methoden zur Beschreibung von chemischen Strukturen beliebiger Dimensionalität mit der Dichtefunktionaltheorie unter periodischen Randbedingungen
Dispersionskorrekturen von DFT für Festkörperprobleme : Kohlenwasserstoffreaktionen in Zeolithen
Surface structure predictions and development of global exploration tools
Efficient structure optimization methods for large systems and their applications to problems of heterogeneous catalysis
Simulation of nonadiabatic dynamics and time-resolved photoelectron spectra in the frame of time-tependent density functional theory
Developments in multiscale ONIOM and fragment methods for complex chemical systems
A QM/QM hybrid method for MP2/plane-wave-DFT studies of extended systems
Oxygen and CO adsorption on supported Pd nanoparticles and Pd(111)
Acitve sites for methane activation in MgO and Li doped MgO
Quantum chemical investigations on sensory photoreceptors in natural and artificial systems
Implementation of the incremental scheme for highly efficient correlation methods
The DFT+U Method in the Framework of the Parallel Density Functional Code ParaGauss
Methoden zur Beschreibung von chemischen Strukturen beliebiger Dimensionalität mit der Dichtefunktionaltheorie unter periodischen Randbedingungen
Dispersionskorrekturen von DFT für Festkörperprobleme : Kohlenwasserstoffreaktionen in Zeolithen
Surface structure predictions and development of global exploration tools
Efficient structure optimization methods for large systems and their applications to problems of heterogeneous catalysis
Simulation of nonadiabatic dynamics and time-resolved photoelectron spectra in the frame of time-tependent density functional theory
Developments in multiscale ONIOM and fragment methods for complex chemical systems
A QM/QM hybrid method for MP2/plane-wave-DFT studies of extended systems
Oxygen and CO adsorption on supported Pd nanoparticles and Pd(111)
Acitve sites for methane activation in MgO and Li doped MgO
Quantum chemical investigations on sensory photoreceptors in natural and artificial systems
Implementation of the incremental scheme for highly efficient correlation methods
The DFT+U Method in the Framework of the Parallel Density Functional Code ParaGauss
Methoden zur Beschreibung von chemischen Strukturen beliebiger Dimensionalität mit der Dichtefunktionaltheorie unter periodischen Randbedingungen
Dispersionskorrekturen von DFT für Festkörperprobleme : Kohlenwasserstoffreaktionen in Zeolithen
Surface structure predictions and development of global exploration tools
Efficient structure optimization methods for large systems and their applications to problems of heterogeneous catalysis
Simulation of nonadiabatic dynamics and time-resolved photoelectron spectra in the frame of time-tependent density functional theory
Developments in multiscale ONIOM and fragment methods for complex chemical systems
A QM/QM hybrid method for MP2/plane-wave-DFT studies of extended systems
Oxygen and CO adsorption on supported Pd nanoparticles and Pd(111)
Acitve sites for methane activation in MgO and Li doped MgO
Quantum chemical investigations on sensory photoreceptors in natural and artificial systems
Implementation of the incremental scheme for highly efficient correlation methods