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386 p. in various pagings
Book
Physical Chemistry Chemical Physics, ISSN 1463-9076, 08/2015, Volume 17, Issue 38, pp. 24925 - 24930
Journal Article
Physical chemistry chemical physics : PCCP, 06/2017, Volume 19, Issue 23, p. 15503
We present a theoretical approach, based on a density functional theoretic parametrization of a model Hamiltonian, that allows for the determination of the... 
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 11/2013, Volume 588, pp. 260 - 266
We present a recipe for the calculation of the optical properties of Ce -doped systems. The model implies the use of ligand field phenomenology in conjunction... 
Journal Article
Anuario mexicano de derecho internacional, ISSN 1870-4654, 12/2017, Volume 17, pp. 3 - 40
Resumen: La retirada del Reino Unido de la Unión Europea es una cuestión de máxima actualidad que ha sembrado de incertidumbres a los estudiosos, por tratarse... 
International Relations | Law
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 01/2012, Volume 116, Issue 1, pp. 126 - 133
A theoretical study of hydrogen deposition and insertion in bimetallic Pd–Pt nanoalloys has been carried out in the framework of the density functional theory.... 
C: Nanops and Nanostructures | STORAGE | PSEUDOPOTENTIALS | MATERIALS SCIENCE, MULTIDISCIPLINARY | EXPANSION | CHEMISTRY, PHYSICAL | NANOSCIENCE & NANOTECHNOLOGY | ABSORPTION | CATALYST | PD/PT NANOPARTICLES | FUKUI FUNCTION
Journal Article
CHEMISTRY-A EUROPEAN JOURNAL, ISSN 0947-6539, 11/2018, Volume 24, Issue 61, pp. 16276 - 16281
A theoretical model that allows to predict, for the first time, the luminescence properties of a new phosphor (BaSnSi3O9:Eu2+) is presented. The predicted... 
PHOTOLUMINESCENCE | CRYSTAL-STRUCTURE | FIELD | CHEMISTRY, MULTIDISCIPLINARY | lanthanides | EXCITED-STATES | PR3 | density functional calculations | ab initio calculations | luminescence | EMITTING PHOSPHOR | TM2 | EMISSION | EFFICIENCY
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 07/2018, Volume 122, Issue 27, pp. 15070 - 15077
We use density functional theory to analyze the charge transfer between lithium or magnesium cations and a graphene wall beyond the predictions of classical... 
Journal Article
Anuario Mexicano de Derecho Internacional, ISSN 1870-4654, 03/2017, Volume 1, Issue 17, p. 3
La retirada del Reino Unido de la Unión Europea es una cuestión de máxima actualidad que ha sembrado de incertidumbres a los estudiosos, por tratarse de un... 
Journal Article
04/2019, Volume 9, Issue 21, pp. 11818 - 11823
Arsenic has been predicted to present significantly more diverse 2D phases than other elemental compounds like graphene. While practical applications must be... 
Journal Article
Anuario Mexicano de Derecho Internacional, ISSN 1870-4654, 2017, Volume 17, Issue 1, pp. 3 - 40
Journal Article
ISSN 2040-3364, 10/2018, Volume 1, Issue 38, pp. 18169 - 18177
We analyse the electrical response of narrow graphene nanogaps in search for transport signatures stemming from spin-polarized edge states. We find that the... 
Journal Article
RSC Advances, 01/2019, Volume 9, Issue 21, pp. 11818 - 11823
Arsenic has been predicted to present significantly more diverse 2D phases than other elemental compounds like graphene. While practical applications must be... 
Electronic structure | Arsenic | Structural stability | Graphene | Phase stability
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 02/2015, Volume 622, pp. 120 - 123
The theoretical rationalization of the open-shell 4f and 5d configuration of Eu is by far not trivial because it involves a non-standard version of ligand... 
Journal Article
ISSN 2040-3364, 5/2018, Volume 1, Issue 17, pp. 795 - 7911
Spin-crossover (SCO) molecules are versatile magnetic switches with applications in molecular electronics and spintronics. Downscaling devices to the... 
Journal Article
Chemistry – A European Journal, ISSN 0947-6539, 11/2018, Volume 24, Issue 61, pp. 16276 - 16281
A theoretical model that allows to predict, for the first time, the luminescence properties of a new phosphor (BaSnSi3O9:Eu2+) is presented. The predicted... 
density functional calculations | ab initio calculations | luminescence | lanthanides | Europium | Optical properties | Luminescence | Predictions
Journal Article
Revista de Artes Marciales Asiáticas, ISSN 2174-0747, 06/2018, Volume 13, Issue 1, pp. 53 - 60
Weight division is the most common way of categorizing athletes for competition in martial arts and combat sports. Eating disorders and the use of rapid weight... 
weight loss | combat sports | performance | Taekwondo | martial arts
Journal Article
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