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Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2016, Volume 18, Issue 42, pp. 29029 - 29100
.... Their common one-dimensional structure can be extended into the second dimension to create conjugated planar sheets of covalently linked molecules... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Covalence | Electronic properties | Band structure of solids | Banded structure | Physical chemistry | Band theory | Polymers | Conduction band
Journal Article
Physical review. B, Condensed matter and materials physics, ISSN 1550-235X, 01/2014, Volume 89, Issue 4
We use a band unfolding technique to recover an effective primitive cell picture of the band structure of graphene under the influence of different types of perturbations... 
Physical Sciences | Materials Science | Technology | Materials Science, Multidisciplinary | Physics, Condensed Matter | Physics | Science & Technology | Physics, Applied | Electronic structure | Unit cell | Band structure of solids | Perturbation methods | Condensed matter | Graphene | Banded structure | Defects
Journal Article
Journal of chemical theory and computation, ISSN 1549-9618, 03/2017, Volume 13, Issue 3, pp. 1209 - 1218
Journal Article
Physical review. B, Condensed matter and materials physics, ISSN 1098-0121, 01/2015, Volume 91, Issue 3
Density-functional-theory calculations are combined with many-body perturbation theory in order to elucidate the geometry, electronic, and optical properties... 
Physical Sciences | Materials Science | Technology | Materials Science, Multidisciplinary | Physics, Condensed Matter | Physics | Science & Technology | Physics, Applied | Band structure of solids | Condensed matter | Anisotropy | Mathematical analysis | Gallium nitrides | Banded structure | Surface chemistry | Electronics | Dispersions
Journal Article
Physical review letters, ISSN 0031-9007, 09/2018, Volume 121, Issue 10, p. 106403
We study the band topology and the associated linking structure of topological semimetals with nodal lines carrying Z2 monopole charges, which can be realized in three-dimensional systems invariant... 
First principles | Metalloids | Monopoles | Banded structure | Spin-orbit interactions | Eigenvalues | Topology | Phase transitions | Invariants
Journal Article
physica status solidi (b), ISSN 0370-1972, 09/2017, Volume 254, Issue 9, p. n/a
... (TBM), with that calculated in a density‐functional‐theory (DFT) local‐density approximation framework. Identification in the DFT band structure of all eight... 
group theory | tight binding | Electronic structure | band structure | symmetry | graphene | Physics, Condensed Matter | Physical Sciences | Physics | Science & Technology | Graphene | Analysis | Graphite | Musical groups
Journal Article
Angewandte Chemie (International ed.), ISSN 1433-7851, 04/2013, Volume 52, Issue 16, pp. 4422 - 4425
... substitution, a linear shift of the band structure is observed and corresponds to n‐type doping (see picture; CB=conduction band and VB... 
doping | molecular electronics | surface chemistry | graphene | electronic structure | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Graphene | Graphite | Synthesis | Band structure of solids | Precursors | Banded structure | Doping | Nanostructure | Monomers
Journal Article
IEEE transactions on antennas and propagation, ISSN 0018-926X, 03/2015, Volume 63, Issue 3, pp. 1168 - 1171
Journal Article
Physical review. B, Condensed matter and materials physics, ISSN 1550-235X, 05/2014, Volume 89, Issue 20, p. 201408
...), which is in line with recent experimental data. The results are analyzed in terms of the constructed four-band tight-binding model, which gives accurate descriptions of the mono-and bilayer band structure near the band gap, and reveal an important... 
Physical Sciences | Materials Science | Technology | Materials Science, Multidisciplinary | Physics, Condensed Matter | Physics | Science & Technology | Physics, Applied | Interlayers | Descriptions | Approximation | Band structure of solids | Condensed matter | Mathematical analysis | Banded structure | Phosphorus | Mathematical models
Journal Article
Chemphyschem, ISSN 1439-4235, 05/2018, Volume 19, Issue 9, pp. 1016 - 1023
This work critically examines attempts to model the fine structure apparent in electronic spectra of cyanine dyes and their analogues... 
electronic spectra | vibronic transitions | molecular modeling | cyanines | Franck–Condon principle | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Cyanine dyes | Fine structure | Banded structure | Collection | Carbon | Electronic spectra | Symmetry | Concept | Concepts
Journal Article