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Understanding Phonon Properties in Metal-Organic Frameworks From First Principles
Tomas Kamencek,
Egbert Zojer
,
Paolo Falcaro
Institute of Solid State Physics (5130)
Institute of Physical and Theoretical Chemistry (6350)
Research output
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Contribution to conference
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Poster
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Dive into the research topics of 'Understanding Phonon Properties in Metal-Organic Frameworks From First Principles'. Together they form a unique fingerprint.
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Chemistry
Atomistic Simulation
12%
Charge Density
12%
Density Functional Theory
12%
Electronic Band Structure
12%
First Principle
100%
Metal Organic Framework
100%
Phonon
100%
Quasiparticle
12%
Structure
12%
Surface Area
12%
Thermal Conductivity
12%
Thermal Expansion
12%
Physics
Density Functional Theory
12%
Elasticity
12%
Elementary Excitation
12%
First-Principles
100%
Frequency Shift
12%
Harmonics
12%
Lattice Vibration
12%
Metal Organic Framework
100%
Phonon
100%
Thermal Conductivity
12%
Thermal Expansion
12%
Material Science
Catalysis
14%
Density
28%
Elastic Constant
14%
Lattice Vibration
14%
Materials Property
14%
Mechanical Property
14%
Metal-Organic Framework
100%
Thermal Conductivity
14%
Thermal Expansion
14%