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INORGANIC CHEMISTRY, ISSN 0020-1669, 06/2017, Volume 56, Issue 12, pp. 6879 - 6889
The synthesis and properties of a novel hetero-tetranuclear: compound [Cr-2(bpy)(4)(mu(2)-O)(4)Nb-2(C2O4)(4)]center dot 3H(2)O (1; bpy = 2,2'-bipyridine),... 
CU2 | OXIDE | CUIINIIICUII | CRYSTAL-STRUCTURE | METAL | MAGNETIC-PROPERTIES | CENTERS | HETEROBIMETALLIC COMPLEXES | ARCHITECTURES | CUIICUIICUII | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 2017, Volume 56, Issue 12, pp. 6879 - 6889
The synthesis and properties of a novel hetero-tetranuclear compound [Cr(bpy)(μ-O)Nb(CO)]·3HO (1; bpy = 2,2'-bipyridine), investigated by single-crystal X-ray... 
Chemical Sciences
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 10/2011, Volume 84, Issue 16
We studied low-energy plasmons in ultrathin films of silver in the thickness regimes where the surface states as well as quantum-well states must play... 
PHYSICS, CONDENSED MATTER | DENSITY-RESPONSE FUNCTION | IMAGE POTENTIAL STATES | 2-DIMENSIONAL PLASMON | DISPERSION | SYSTEMS | SPECTRA | ELECTRONIC EXCITATIONS | BINDING | SCATTERING | LIFETIME
Journal Article
Physical Review B (Condensed Matter and Materials Physics), ISSN 1098-0121, 12/2013, Volume 88, Issue 24
Spectra of the C1s core hole, created in x-ray photoemission and screened by electronic excitations in pristine and doped graphene are calculated and... 
Asymmetry | Condensed matter | Graphene | Photoemission | X-rays | Spectra | Excitation spectra | Lead (metal)
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 02/2013, Volume 87, Issue 7
The spectra of electronic excitations in graphene are calculated using first principles time-dependent density functional theory formalism, and used to obtain... 
PHYSICS, CONDENSED MATTER | FILMS | EXCITATIONS | GRAPHITE
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 08/2014, Volume 90, Issue 7
We have benchmarked long range behavior of seven different van der Waals functionals comparing them with our ACF-RPA correlation calculations for graphene on a... 
EXCHANGE-ENERGY | PHYSICS, CONDENSED MATTER | FILMS | GENERALIZED GRADIENT APPROXIMATION | SURFACES
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 05/2015, Volume 91, Issue 19
In this paper we clarify the nature of pi and pi + sigma electron excitations in pristine graphene. We clearly demonstrate the continuous transition from... 
PHYSICS, CONDENSED MATTER | GRAPHITE | RANGE
Journal Article
Physical Review B (Condensed Matter and Materials Physics), ISSN 1098-0121, 05/2014, Volume 89, Issue 19
Using our recently proposed Bethe-Salpeter G sub(0)W sub(0) formulation, we explore the optical absorption spectra of fullerene (C sub(60)) near coinage metal... 
Gold | Excitons | Condensed matter | Surface chemistry | Fullerenes | Optical activity | Plasmons | Buckminsterfullerene | Gain
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 02/2013, Volume 87, Issue 7
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY C, ISSN 1932-7447, 10/2019, Volume 123, Issue 43, pp. 26498 - 26508
Understanding the interaction of light with molecules physisorbed on substrates is a fundamental problem in photonics, with applications in biosensing,... 
INTENSITIES | ELECTRON | APPROXIMATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | GREENS-FUNCTION | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ABSORPTION-SPECTRA | TIO2 PHOTOCATALYSIS | PHOTOABSORPTION | SPECTROSCOPY | EXCITATION-SPECTRA | LEVEL ALIGNMENT
Journal Article
Journal of Physics Condensed Matter, ISSN 0953-8984, 12/2014, Volume 26, Issue 48, pp. 485012 - 9
Our recently proposed theoretical formulation based on Bethe-Salpeter G(0)W(0) methodology is applied here to explore the quasiparticle and optical spectra of... 
Optical spectra | Organic molecule | Surface plasmons | organic molecule | PHYSICS, CONDENSED MATTER | ELECTRON-HOLE EXCITATIONS | SEMICONDUCTORS | GREENS-FUNCTION | surface plasmons | optical spectra | ANTHRACENE | PENTACENE | SPECTRA | Separation | Excitons | Approximation | Condensed matter | Images | Surface chemistry | Plasmons | Molecular orbitals | Excitation
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 12/2013, Volume 88, Issue 24
Spectra of the C1s core hole, created in x-ray photoemission and screened by electronic excitations in pristine and doped graphene are calculated and... 
PHYSICS, CONDENSED MATTER | ELECTRON | METALS | SINGULARITIES | ABSORPTION | MODEL | EMISSION | EXCITONS
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 09/2015, Volume 92, Issue 12
The theoretical formulation developed in Phys. Rev. B 83, 205424 (2011) is applied to explore how surface electronic structure modifies the noncontact friction... 
PHYSICS, CONDENSED MATTER | ENERGY | PHYSICS, APPLIED | PLASMON | EXCITATION | MATERIALS SCIENCE, MULTIDISCIPLINARY | SYSTEMS | FORCES | Electronic structure | Friction | Condensed matter | Oscillations | Plasmons | Excitation | Slabs | Channels
Journal Article
New Journal of Physics, ISSN 1367-2630, 08/2015, Volume 17, Issue 8
We measure the nuclear quadrupole resonance signal on the Zn site in nearly optimally doped YBa2Cu3O6.92, when Cu is substituted by 3% of isotopically pure... 
cuprate superconductors | superconductivity | DFT | doping mechanism | NMR/NQR | Zn impurities | Symmetry
Journal Article
PHYSICAL REVIEW B, ISSN 1098-0121, 09/2011, Volume 84, Issue 10
Surface state localization and hybridization on B, Mg, and Li terminated MgB2(0001) surfaces are studied within density functional theory (DFT). For the B... 
THIN-FILMS | PHYSICS, CONDENSED MATTER | SUPERCONDUCTIVITY | METAL-SURFACES | MGB2
Journal Article
NEW JOURNAL OF PHYSICS, ISSN 1367-2630, 08/2015, Volume 17
We measure the nuclear quadrupole resonance signal on the Zn site in nearly optimally doped YBa2Cu3O6.92, when Cu is substituted by 3% of isotopically pure... 
cuprate superconductors | superconductivity | YBA2CU3O7-DELTA | DFT | PHYSICS, MULTIDISCIPLINARY | doping mechanism | NMR/NQR | BEHAVIOR | ATOMS | T-C | OXIDES | Zn impurities
Journal Article
by Hummelshøj, J S and Landis, D D and Voss, J and Jiang, T and Tekin, A and Bork, N and Dułak, M and Mortensen, J J and Adamska, L and Andersin, J and Baran, J D and Barmparis, G D and Bell, F and Bezanilla, A L and Bjork, J and Björketun, M E and Bleken, F and Buchter, F and Bürkle, M and Burton, P D and Buus, B B and Calborean, A and Calle-Vallejo, F and Casolo, S and Chandler, B D and Chi, D H and Czekaj, I and Datta, S and Datye, A and DeLaRiva, A and Despoja, V and Dobrin, S and Engelund, M and Ferrighi, L and Frondelius, P and Fu, Q and Fuentes, A and Fürst, J and García-Fuente, A and Gavnholt, J and Goeke, R and Gudmundsdottir, S and Hammond, K D and Hansen, H A and Hibbitts, D and Hobi, E and Howalt, J G and Hruby, S L and Huth, A and Isaeva, L and Jelic, J and Jensen, I J. T and Kacprzak, K A and Kelkkanen, A and Kelsey, D and Kesanakurthi, D S and Kleis, J and Klüpfel, P J and Konstantinov, I and Korytar, R and Koskinen, P and Krishna, C and Kunkes, E and Larsen, A H and Lastra, J M. G and Lin, H and Lopez-Acevedo, O and Mantega, M and Martínez, J I and Mesa, I N and Mowbray, D J and Mýrdal, J S. G and Natanzon, Y and Nistor, A and Olsen, T and Park, H and Pedroza, L S and Petzold, V and Plaisance, C and Rasmussen, J A and Ren, H and Rizzi, M and Ronco, A S and Rostgaard, C and Saadi, S and Salguero, L A and Santos, E J. G and Schoenhalz, A L and Shen, J and Smedemand, M and Stausholm-Møller, O J and Stibius, M and Strange, M and Su, H B and Temel, B and Toftelund, A and Tripkovic, V and Vanin, M and Viswanathan, V and Vojvodic, A and ...
Journal of Chemical Physics, ISSN 0021-9606, 07/2009, Volume 131, Issue 1, pp. 014101 - 014101-9
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 09/2011, Volume 84, Issue 10
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 10/2012, Volume 86, Issue 16
A propagator of the dynamically screened Coulomb interaction in the vicinity of a graphene monolayer is calculated using ground-state Kohn-Sham orbitals, and... 
PHYSICS, CONDENSED MATTER | PHASE | EXCITATIONS | FILMS | SURFACE | GAS | IONS | DOPED GRAPHENE
Journal Article
New Journal of Physics, ISSN 1367-2630, 08/2015, Volume 17, Issue 8, p. 83033
Journal Article
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