Search results for "REF"
showing 10 items of 8690 documents
Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones
2012
A new multireference configuration interaction method using localised orbitals is proposed, in which a molecular system is divided into regions of unequal importance. The advantage of dealing with local orbitals, i.e., the possibility to neglect long range interaction is enhanced. Indeed, while in the zone of the molecule where the important phenomena occur, the interaction cut off may be as small as necessary to get relevant results, in the most part of the system it can be taken rather large, so that results of good quality may be obtained at a lower cost. The method is tested on several systems. In one of them, the definition of the various regions is not based on topological considerati…
Spin crossover (SCO) iron(II) coordination polymer chain: Synthesis, structural and magnetic characterizations of [Fe(abpt)2(μ-M(CN)4)] (M=PtII and N…
2013
Abstract New iron(II) coordination polymeric neutral chain of formula [Fe(abpt) 2 (μ-M(CN) 4 )], with M = Pt II ( 1 ), Ni II ( 2 ) and abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole, have been synthesized and characterized by infrared spectroscopy, X-ray diffraction and magnetic measurements. The two compounds are isostructural as deduced from a Rietveld analysis of X-ray powder diffraction data of 2 simulated from the single crystal structure of 1 . The crystal packing of 1 is formed by regular chains running along the crystallographic [−1 0 1] direction where the planar [Pt(CN) 4 ] 2− anion acts as a μ 2 -bridging ligand via two nitrogen atoms of two different trans cyano groups, whi…
Probing the guest-binding preference of three structurally similar and conformationally adaptive macrocycles.
2019
A hybrid macrocycle was synthesized by combining the repeat units in oxatub[4]arene and zorb[4]arene, and its recognition behavior and conformational analysis were studied. Three structurally similar and conformationally adaptive macrocycles show different guest-binding selectivities and preferences even in a complex mixture containing three macrocycles and three guests.
Catalytic enantioselective aza-Reformatsky reaction with seven-membered cyclic imines dibenzo[b,f][1,4]oxazepines
2017
A catalytic enantioselective aza-Reformatsky reaction is reported with cyclic dibenzo[b,f][1,4]oxazepines and ethyl iodoacetate leading to the synthesis of chiral ethyl 2-(10,11-dihydrodibenzo[b,f][1,4]oxazepin-11-yl)acetate derivatives with excellent yields and high enantioselectivities (up to 98% yield and 97 : 3 er) using a readily available diaryl prolinol L4 as the chiral ligand and Me2Zn as the zinc source under an air atmosphere. Furthermore, different transformations were carried out with the corresponding chiral β-amino esters, preserving in all cases the optical purity.
Joint interpretation of seismic refraction tomography and electrical resistivity tomography by cluster analysis to detect buried cavities
2020
Abstract In the last few years, the geophysical methods of seismic refraction tomography (SRT) and electrical resistivity tomography (ERT) are among the most used geophysical techniques for the reconstruction of subsoil geometries, for the investigation of underground cavities and also for the archaeological prospecting. However, the main disadvantage of each geophysical method is the difficulty of final interpretation of the data. In order to eliminate artifacts and generally improve the reliability and accuracy of geophysical interpretation, it is useful to perform a joint approach of different geophysical methods, also introducing the a priori information. In this work, it is shown the i…
Down-Scaling Modis Vegetation Products with Landsat GAP Filled Surface Reflectance in Google Earth Engine
2020
High spatial resolution vegetation products are fundamental in different fields, such as improving the understanding of crop seasonality at regional scales. Here, two new vegetation products such as the Leaf Area Index (LAI) and the Fraction of Absorbed Photosynthetically Active Radiation (FAPAR) are downscaled at continental scales. A novel HIghly Scalable Temporal Adaptive Reflectance Fusion Model (HIS-TARFM) is used to generate the gap-free time series of Landsat surface reflectance data by fusing MODIS and Landsat reflectance for the contiguous United States. An artificial neural network is trained to capture the relationship between the gap free Landsat surface reflectance and the MODI…
Intercomparison of Soil Moisture Retrieved from GNSS-R and from Passive L-Band Radiometry at the Valencia Anchor Station
2019
In this paper, the SOMOSTA (Soil Moisture Monitoring Station) experiment on the intercomparison of soil moisture monitoring from Global Navigation Satellite System Reflectometry (GNSS-R) signals and passive L-band microwave radiometer observations at the Valencia Anchor Station is introduced. The GNSS-R instrument has an up-looking antenna for receiving direct signals from satellites, and a dual-pol down-looking antenna for receiving LHCP (left-hand circular polarization) and RHCP (right-hand circular polarization) reflected signals from the soil surface. Data were collected from the three different antennas through the two channels of Oceanpal GNSS-R receiver and, in addition, calibration …
Analysis of directional effects on atmospheric correction
2013
Abstract Atmospheric correction in the Visible and Near Infrared (VNIR) spectral range of remotely sensed data is significantly simplified if we assume a Lambertian target. However, natural surfaces are anisotropic. Therefore, this assumption will introduce an error in surface directional reflectance estimates and consequently in the estimation of vegetation indexes such as the Normalized Difference Vegetation Index (NDVI) and the surface albedo retrieval. In this paper we evaluate the influence of directional effects on the atmospheric correction and its impact in the NDVI and albedo estimation. First, we derived the NDVI and surface albedo from data corrected assuming a Lambertian surface…
Using scintillometry to assess reference evapotranspiration methods and their impact on the water balance of olive groves
2016
Abstract Reference evapotranspiration (ET 0 ) is widely used for irrigation scheduling, to promote an efficient use of water resources for a sustainable agro-ecosystem productivity, as well as to manage water quality and to face other environmental concerns. As suggested by ASCE-EWRI and FAO, standard Penman–Monteith methods are generally applied for an accurate estimation of ET 0 from hourly to daily scale. In absence of detailed meteorological information several simplified equations, using a limited number of variables, have been proposed as alternative. In this paper, the performance of different reference evapotranspiration methods, at hourly (Penman–Monteith, Pristley–Taylor, Makkink …
Developing an indicator-modelling approach to forecast changes in nitrogen critical load exceedance across Europe arising from agricultural reform
2011
International audience; Atmospheric nitrogen (N) deposition above the critical load causes eutrophication with adverse impacts on biodiversity. Average Accumulated critical load Exceedance (AAE) is a measure of the amount of critical load exceedance and the area of habitat which is affected, and has been adopted in Europe as a pressure indicator for biodiversity. In Europe, AAE is calculated by the Coordination Centre for Effects (CCE) of the United Nations Economic Commission for Europe based on modelled nitrogen deposition and country-level reporting of critical load thresholds and ecosystem area. Due to differences in country-level reporting, AAE values for semi-natural habitats may show…