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Scientific Reports, ISSN 2045-2322, 12/2017, Volume 7, Issue 1, p. 7071
Journal Article
Chemistry of Materials, ISSN 0897-4756, 03/2017, Volume 29, Issue 6, pp. 2485 - 2493
Journal Article
PLOS ONE, ISSN 1932-6203, 01/2017, Volume 12, Issue 1, p. e0170945
Journal Article
Journal Article
International Journal on Software Tools for Technology Transfer, ISSN 1433-2779, 09/2019, pp. 1 - 24
Smart cyber-physical systems (CPSs) have complex interaction with their environment which is rarely known in advance, and they heavily depend on intelligent... 
Queries | Algorithms | Run time (computers) | Knowledge representation | Deletion | Data processing | Graphical representations | Real time | Middleware | Monitoring | Nodes
Journal Article
Nano Letters, ISSN 1530-6984, 03/2017, Volume 17, Issue 4
Heterogeneous nanostructures, such as quantum dots (QDs) embedded in solid matrices or core–shell nanoparticles, are promising platforms for a wide variety of... 
synthesis (novel materials) | materials and chemistry by design | NANOSCIENCE AND NANOTECHNOLOGY | solar (photovoltaic) | synthesis (scalable processing) | defects | electrodes - solar | solid state lighting | optics | solar (fuels) | charge transport | bio-inspired
Journal Article
Nature Nanotechnology, ISSN 1748-3387, 2014, Volume 9, Issue 1, pp. 54 - 58
Doping of carbon nanoparticles with impurity atoms is central to their application(1,2). However, doping has proven elusive for very small carbon nanoparticles... 
NANOPARTICLES | LUMINESCENCE CENTER | DIAMOND | MATERIALS SCIENCE, MULTIDISCIPLINARY | NANOCRYSTALS | NITROGEN | NANOSCIENCE & NANOTECHNOLOGY | DIFFUSION | SINGLE-PHOTON EMISSION | METEORITES | VACANCY CENTERS | CORRELATION SPECTROSCOPY | Nanoparticles | Quantum chemistry | Impurities | Doping | Fluorescence | Nanostructure | Color centers | Carbon
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 07/2017, Volume 13, Issue 7, pp. 3318 - 3325
We analyze the performance of the recently proposed screened exchange constant functional (SX) (Brawand et al. Phys. Rev. X 2016, 6, 041002 ) on the GW100 test... 
DENSITY FUNCTIONALS | GW100 | HOLE | AG-2 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CU-2 | CHEMISTRY, PHYSICAL | EXCHANGE | 1ST PRINCIPLES | ELECTRONIC EXCITATIONS | PHOTOELECTRON-SPECTROSCOPY | MOLECULES | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 03/2017, Volume 114, Issue 12, pp. 3050 - 3055
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 06/2017, Volume 13, Issue 6, pp. 2581 - 2590
The in silico design of novel complex materials for energy conversion requires accurate, ab initio simulation of charge transport. In this work, we present an... 
HOPPING MODELS | STATES | APPROXIMATION | TRANSFER RATES | QUANTUM-DOT SOLIDS | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL | COUPLINGS | ORGANIC SEMICONDUCTORS | ELECTRON-TRANSFER REACTIONS | MATERIALS SCIENCE
Journal Article
PLoS ONE, ISSN 1932-6203, 01/2017, Volume 12, Issue 1, p. e0170945
In surveillance of subterranean fauna, especially in the case of rare or elusive aquatic species, traditional techniques used for epigean species are often not... 
SALAMANDER | GROUNDWATER BIODIVERSITY | EDNA | CONSERVATION | EVOLUTION | EUPROCTUS-ASPER | RICHNESS | MULTIDISCIPLINARY SCIENCES | OCCUPANCY MODELS | PROTEIDAE | TOOL | Metagenomics | Species Specificity | Europe | DNA - genetics | DNA - isolation & purification | DNA - chemistry | Animals | Proteus - chemistry | Water - chemistry | Caves | Amphibians - genetics | Proteus - genetics | Croatia | Cave-dwellings | Usage | Research | DNA
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 08/2014, Volume 10, Issue 8, pp. 3290 - 3298
We present an ab initio study of the excited state properties of silicon nanoparticles (NPs) with diameters of 1.2 and 1.6 nm. Quasiparticle corrections were... 
PHOTOIONIZATION CROSS-SECTIONS | PERTURBATION-THEORY | OPTICAL-SPECTRA | SEMICONDUCTORS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | QUASI-PARTICLE | DENSITY-FUNCTIONAL THEORY | RESPONSE THEORY | ELECTRONIC EXCITATIONS | 1ST PRINCIPLES | EXCITED-STATES | Cristallography | Chemical Sciences
Journal Article
Physical Review X, ISSN 2160-3308, 2016, Volume 6, Issue 4, p. 041002
The accurate prediction of electronic and optical properties of molecules and solids is a persistent challenge for methods based on density functional theory.... 
DENSITY FUNCTIONALS | PERTURBATION-THEORY | NANOPARTICLES | QUANTUM-CHEMISTRY | APPROXIMATION | PHYSICS, MULTIDISCIPLINARY | GREENS-FUNCTION | EXACT EXCHANGE | 1ST PRINCIPLES | ELECTRONIC EXCITATIONS | AB-INITIO CALCULATION | ATOMIC AND MOLECULAR PHYSICS
Journal Article
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