Search results for "STICS"

Approximate treatment of higher excitations in coupled-cluster theory. II. Extension to general single-determinant reference functions and improved a…

2008

The theory and implementation of approximate coupled-cluster (CC), in particular approximate CC singles, doubles, triples, and quadruples methods, are discussed for general single-determinant reference functions. While the extension of iterative approximate models to the non-Hartree-Fock case is straightforward, the generalization of perturbative approaches is not trivial. In contrast to the corresponding perturbative triples methods, there are additional terms required for non-Hartree-Fock reference functions, and there are several possibilities to derive approximations to these terms. As it turns out impossible to develop an approach that is consistent with the canonical Hartree-Fock-base…

Marlies Jansegers, Hacia un enfoque múltiple de la polisemia. Un estudio empírico del verbo multimodal “sentir” desde una perspectiva sincrónica y di…

2019

This article reviews Hacia un enfoque multiple de la polisemia. Un estudio empirico del verbo multimodal “sentir” desde una perspectiva sincronica y diacronica 978 3 11 047470 1

A Study of Milk Particles Size Variation with pH Change using Dynamic Light Scattering

2019

A very simple experimental setup for a Dynamic Light Scattering measurement was used to measure the average size of the milk proteins in aqueous suspensions at 20 °C. The PH of the suspensions was adjusted using Calcium lactate, in its most common form of pentahydrate C6H10CaO6•5H2O. The mean size variation of the suspended particles in time has been monitored and reveals a fast increase over a time interval of less than ten of seconds.

Tuning the Electronic Properties of the Dative N-B Bond with Associated O-B Interaction: Electron Localizability Indicator from X-Ray Wavefunction Re…

2016

Despite the immense growth in interest in difluoroborate dyes, the nature of the interactions of the boron atom within the N-BF2 -O kernel is not yet fully understood. Herein, a set of real-space bonding indicators is used to quantify the electronic characteristics of the dative N-B bond in difluoroborate derivatives. The atoms-in-molecules (AIM) partitioning scheme is complemented by the electron localizability indicator (ELI-D) approach, and both were applied to experimental and theoretical electron-density distributions (X-ray constrained wavefunction fitting vs. DFT calculations). Additionally, Fermi orbital analysis was introduced for small DFT models to support and extend the findings…

Effect of AlR3 (R = Me, Et, iBu) addition on the composition and microstructure of ethylene/1-olefin copolymers made with post-metallocene complexes …

2018

The effect of trialkylaluminum compound (AlR3, where R = Me, Et, iBu) addition on the performance of the [LigZrCl]2(μ-O)/AliBu3/Ph3CB(C6F5)4 and LigTiCl2/AliBu3/Ph3CB(C6F5)4 (Lig = Me2N(CH2)2N(CH2-2-O-3,5-tBu2-C6H2)2) catalysts in ethylene/1-olefin copolymerization was investigated. The presence of AlMe3 in the feed during the copolymerization process catalyzed by the diamine-bis(phenolate) zirconium catalyst greatly increases the amount of incorporated comonomer and leads to microstructural changes, e.g., the formation of blocky and alternating sequences of 1-olefin units. Moreover, the use of AlMe3 limits the reaction yield and decreases the molecular weight of the produced copolymers. Th…

The complementary structural studies of the double metal cyanide type catalysts for the ring opening polymerization of the oxiranes

2016

Budyko’s Based Method for Annual Runoff Characterization across Different Climatic Areas: an Application to United States

2018

Runoff data knowledge is of fundamental importance for a wide range of hydrological, ecological, and socioeconomic applications. The reconstruction of annual runoff is a fundamental task for several activities related to water resources management, especially for ungauged basins. At catchment scales, the Budyko's framework provides an extremely useful and, in some cases, accurate estimation of the long-term partitioning of precipitation into evapotranspiration and runoff as a function of the prevailing climatic conditions. Recently the same long-term partitioning rules have been successfully used to describe water partitioning also at the annual scale and calculate the annual runoff distrib…

Assessment of the Potential Evapotranspiration MODIS Product Using Ground Measurements in the Pampas

2018

Evapotranspiration is the hydrological variable of greatest relevance in the Argentina Pampas Region (APR). The estimation of potential evapotranspiration (PET) in this area becomes essential since primary productivity is directly linked to water availability. In order to evaluate the MOD16_A2 product of evapotranspiration (ET), a comparison with in situ measurements was conducted. We used ET data provided by the Oficina de Riesgo Agropecuario, corresponding to 24 stations placed in the region covering all seasons for the years 2012 to 2014. Results show an overestimation of 86% and 52% in Autumn-Winter and Spring-Summer, respectively. Mean Absolut Error (MAE) range between ±0.9 and ±2.1 mm…

A Global Sensitivity Analysis Toolbox to Quantify Drivers of Vegetation Radiative Transfer Models

2017

Abstract Global sensitivity analysis (GSA) enables to gain insight into the functioning of radiative transfer models (RTMs) by identifying the driving input variables of RTM spectral outputs such as reflectance, fluorescence, or radiance. This contribution introduces automated radiative transfer models operator's (ARTMO’s) new GSA toolbox. With the GSA toolbox the majority of ARTMO’s available RTMs can be decomposed into its driving variables. For a selected RTM output, a GSA identifies the most influential and noninfluential input variables according to Sobol' first-order and total-order indices. The toolbox can process RTM spectral outputs for any kind of optical sensor setting within the…

Derivation of global vegetation biophysical parameters from EUMETSAT Polar System

2020

Abstract This paper presents the algorithm developed in LSA-SAF (Satellite Application Facility for Land Surface Analysis) for the derivation of global vegetation parameters from the AVHRR (Advanced Very High Resolution Radiometer) sensor on board MetOp (Meteorological–Operational) satellites forming the EUMETSAT (European Organization for the Exploitation of Meteorological Satellites) Polar System (EPS). The suite of LSA-SAF EPS vegetation products includes the leaf area index (LAI), the fractional vegetation cover (FVC), and the fraction of absorbed photosynthetically active radiation (FAPAR). LAI, FAPAR, and FVC characterize the structure and the functioning of vegetation and are key par…