Search results for "PC"

Complete basis set prediction of methanol isotropic nuclear magnetic shieldings and indirect nuclear spin–spin coupling constants (SSCC) using polari…

2009

Efficient B3LYP and BHandH density functionals were used to estimate methanol's nuclear magnetic isotropic shieldings and spin–spin coupling constants in the basis set limit. Polarization‐consistent pcS‐n and pcJ‐n (n = 0, 1, 2, 3 and 4), and segmented contracted XZP, where X = D, T, Q and 5, basis sets were used and the results fitted with simple mathematical formulas. The performance of the methods was assessed from comparison with experiment and higher level calculations. 1J(CH) and 3J(HH) values were determined from very diluted solutions in deuterochloroform and compared with theoretical predictions. The agreement between complete basis set (CBS) density functional theory (DFT) predict…

H2O, H2, HF, F2 and F2O nuclear magnetic shielding constants and indirect nuclear spin–spin coupling constants (SSCCs) in the BHandH/pcJ‐n and BHandH…

2009

Good performance of segmented contracted basis sets XZP, where X = D, T, Q and 5, for obtaining H2O, H2, HF, F2 and F2O nuclear isotropic shielding constants in the BHandH Kohn–Sham basis set limit was shown. The results of two‐ and three‐parameter complete basis set limit extrapolation schemes were compared with experimental results, earlier literature data and benchmark ab initio results. Similar convergence patterns of shieldings obtained from calculations using general purpose XZP basis sets and from polarization‐consistent basis sets pcS‐n and pcJ‐n, where n = 0, 1, 2, 3 and 4, designed to accurately predict magnetic properties were observed. On the contrary, the SSCCs were more sensit…

Online 222 Rn removal by cryogenic distillation in the XENON100 experiment

2017

We describe the purification of xenon from traces of the radioactive noble gas radon using a cryogenic distillation column. The distillation column was integrated into the gas purification loop of the XENON100 detector for online radon removal. This enabled us to significantly reduce the constant 222 Rn background originating from radon emanation. After inserting an auxiliary 222 Rn emanation source in the gas loop, we determined a radon reduction factor of R>27 (95% C.L.) for the distillation column by monitoring the 222 Rn activity concentration inside the XENON100 detector.

First Dark Matter Search Results from the XENON1T Experiment

2017

We report the first dark matter search results from XENON1T, a ∼2000-kg-target-mass dual-phase (liquid-gas) xenon time projection chamber in operation at the Laboratori Nazionali del Gran Sasso in Italy and the first ton-scale detector of this kind. The blinded search used 34.2 live days of data acquired between November 2016 and January 2017. Inside the (1042±12)-kg fiducial mass and in the [5,40] keVnr energy range of interest for weakly interacting massive particle (WIMP) dark matter searches, the electronic recoil background was (1.93±0.25)×10-4 events/(kg×day×keVee), the lowest ever achieved in such a dark matter detector. A profile likelihood analysis shows that the data are consisten…

Regni chinensis descriptio / ex variis authoribus

1639

Port. grav. Grav. xil. Sign.: *4, A-Z8, 2A6

Biosorpcja niklu (II) i cynku (II) z roztworów wodnych przez biomasę drożdży Yarrowia lipolytica

2016

SMAP Multi-Temporal vegetation optical depth retrieval as an indicator of crop yield trends and crop composition

2017

Vegetation Optical Depth (VOD) is related to Vegetation Water Content (VWC). This provides new and highly valuable information for ecological and agricultural studies. In this work, VOD from the Soil Moisture Active-Passive (SMAP) satellite has been retrieved with the new Multi-Temporal Dual-Channel Algorithm (MT-DCA). Then, it has been applied to the study of crop yield trends and crop composition. The increase on VOD (¿VOD) during crop development has been compared to yield data in two selected regions located in the United States. The first region presents a heterogeneous crop composition and weak ¿VOD-yield relationship (r2=0.21). The second region presents a highly homogenous cover and…

Linear Coassembly of Upconversion and Perovskite Nanoparticles: Sensitized Upconversion Emission of Perovskites by Lanthanide‐Doped Nanoparticles

2020

Sensitized emission of lead halide perovskite nanoparticles (LHPNPs) can be achieved by near‐infrared (NIR) excitation of nearby lanthanide‐doped upconversion nanoparticles (UCNPs) by using a low‐cost diode laser. Here, the first preparation of linear assemblies of core and core–shell NPs, as well as linear coassemblies of LHPNPs and UCNPs, within an open peapod‐like lead sulfate shell are reported. UCNPs with a NaYF4 matrix doped with ytterbium and thulium or erbium, and with an inert shell of NaYF4 in the case of core‐shell, and all‐inorganic CsPbX3 NPs (X = halide) are chosen for these studies. Interestingly, the lead sulfate shell enhances the luminescence of the core/core– shell UCNPs …

Near-IR to Near-IR Upconversion Luminescence in Molecular Chromium Ytterbium Salts

2020

Abstract Upconversion photoluminescence in hetero‐oligonuclear metal complex architectures featuring organic ligands is an interesting but still rarely observed phenomenon, despite its great potential from a basic research and application perspective. In this context, a new photonic material consisting of molecular chromium(III) and ytterbium(III) complex ions was developed that exhibits excitation‐power density‐dependent cooperative sensitization of the chromium‐centered 2E/2T1 phosphorescence at approximately 775 nm after excitation of the ytterbium band 2F7/2→2F5/2 at approximately 980 nm in the solid state at ambient temperature. The upconversion process is insensitive to atmospheric ox…

Contribution à l'estimation non paramétrique des quantiles géométriques et à l'analyse des données fonctionnelles

2008

In this dissertation we study the nonparametric geometric quantile estimation, conditional geometric quantiles estimation and functional data analysis. First, we are interested to the definition of geometric quantiles. Different simulations show that Transformation-Retransformation technique should be used to estimate geometric quantiles when the distribution is not spheric. A real study shows that, data are better modelized by geometric quantiles than by marginal one's, especially when variables that make up the random vector are correlated. Then we estimate geometric quantiles when data are obtained by survey sampling techniques. First, we propose an unbaised estimator, then using lineari…