Search results for "Ground"
showing 10 items of 2432 documents
Efficient ultraviolet-light energy dissipation by an aromatic ketone.
2010
Experimental evidence on the efficiency of 2,2'4,4'-tetramethoxybenzil for UV-light energy dissipation is provided. This non-phenolic aromatic ketone has a low energy triplet which quickly decays to the ketone ground state, thus avoiding the generation of undesirable reactive species. El Moncef, Abdelkarim, elmonab@alumni.uv.es ; Cuquerella Alabort, Maria Consuelo, Chelo.Cuquerella@uv.es ; Zaballos Garcia, Elena, Elena.Zaballos@uv.es ; Ramirez de Arellano Sanchez, Maria del Carmen, Carmen.Ramirezdearellano@uv.es ; Stiriba, Salah Eddine, Salah.Stiriba@uv.es ; Perez Prieto, Julia, Julia.Perez@uv.es
Application of SQMFF Vibrational Calculations to Transition States: DFT and ab Initio Study of the Kinetics of Methyl Azide and Ethyl Azide Thermoly…
1998
DFT including nonlocal corrections and ab initio calculations at MP2 and MP4 levels of theory have been performed in order to provide information concerning the mechanism of the rate limiting step of the thermal decomposition of methyl azide and ethyl azide. The chemically interesting points of the ground-state potential energy surface have been fully optimized, and a detailed normal-mode analysis for the reagents and the transition states is presented. The well-established scaled quantum mechanical force field method has been used to obtain reliable vibrational frequencies for these molecular structures. The force fields of transition states have been modified by using the scale factors co…
A theory ofnonverticaltriplet energy transfer in terms of accurate potential energy surfaces: The transfer reaction from π,π* triplet donors to 1,3,5…
2004
Triplet energy transfer (TET) from aromatic donors to 1,3,5,7-cyclooctatetraene (COT) is an extreme case of "nonvertical" behavior, where the transfer rate for low-energy donors is considerably faster than that predicted for a thermally activated (Arrhenius) process. To explain the anomalous TET of COT and other molecules, a new theoretical model based on transition state theory for nonadiabatic processes is proposed here, which makes use of the adiabatic potential energy surfaces (PES) of reactants and products, as computed from high-level quantum mechanical methods, and a nonadiabatic transfer rate constant. It is shown that the rate of transfer depends on a geometrical distortion paramet…
Cationic Mn12 Single-Molecule Magnets and Their Polyoxometalate Hybrid Salts
2003
A carboxy-substituted alkylammonium salt, namely, (4-carboxybenzyl)tributylammonium hexafluorophosphate, ZHPF(6), was prepared and used as incoming carboxylate ligand in a ligand-exchange reaction with [Mn(12)O(12)(O(2)CCH(3))(16)(H(2)O)(4)] (1) to afford a new Mn(12) single-molecule magnet (SMM), [Mn(12)O(12)(Z)(16)(H(2)O)(4)][PF(6)](16) (2), bearing 16 cationic units appended in the periphery. This compound behaves as a single-molecule magnet, exhibiting an out-of-phase ac magnetic susceptibility chi' '(M) signal that shows a single maximum in the 3.1-5.4 K temperature range. The frequency dependence of the maximum follows an Arrhenius law, with an effective energy barrier for reorientati…
Inorganic arsenic species in groundwater: A case study from Purbasthali (Burdwan), India
1996
A regional groundwater quality survey from 20 tube wells in the Purbasthali area of the Burdwan district of West Bengal province (India) identified arsenic pollution in this area. Arsenic was detected in 19 cases at a concentration level 0.5 to 135.9 micrograms/L. Speciation studies indicate that As(III) is present in only one sample and organo-arsenic compounds have not been detected. Iron, antimony and pH of such water samples were also studied to see if there is any correlation of the presence of arsenic and these parameters. A high concentration of iron (0.3 to 10.7 mg/L) has been detected. Antimony is present in all these water samples (0.03 to 0.9 microgram/L). The pH value of the gro…
Mineral control of arsenic content in thermal waters from volcano-hosted hydrothermal systems: Insights from island of Ischia and Phlegrean Fields (C…
2006
This paper documents arsenic concentrations in 157 groundwater samples from the island of Ischia and the Phlegrean Fields, two of the most active volcano-hosted hydrothermal systems from the Campanian Volcanic Province (Southern Italy), in an attempt to identify the environmental conditions and mineral-solution reactions governing arsenic aqueous cycling. On Ischia and in the Phlegrean Fields, groundwaters range in composition from NaCl brines, which we interpret as the surface discharge of deep reservoir fluids, to shallow-depth circulating fluids, the latter ranging from acid-sulphate steam-heated to hypothermal, cold, bicarbonate groundwaters. Arsenic concentrations range from 1.6 to 690…
Robust Neutrino Constraints by Combining Low Redshift Observations with the CMB
2009
We illustrate how recently improved low-redshift cosmological measurements can tighten constraints on neutrino properties. In particular we examine the impact of the assumed cosmological model on the constraints. We first consider the new HST H-0 = 74.2 +/- 3.6 measurement by Riess et al. (2009) and the sigma(8)(Omega(m)/0.25)(0.41) = 0.832 +/- 0.033 constraint from Rozo et al. (2009) derived from the SDSS maxBCG Cluster Catalog. In a ACDM model and when combined with WMAP5 constraints, these low-redshift measurements constrain Sigma m(v) < 0.4 eV at the 95% confidence level. This bound does not relax when allowing for the running of the spectral index or for primordial tensor perturbations…
The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: Baryon Acoustic Oscillations in the Data Release 10 and 11 galaxy…
2014
We present a one per cent measurement of the cosmic distance scale from the detections of the baryon acoustic oscillations in the clustering of galaxies from the Baryon Oscillation Spectroscopic Survey (BOSS), which is part of the Sloan Digital Sky Survey III (SDSS-III). Our results come from the Data Release 11 (DR11) sample, containing nearly one million galaxies and covering approximately $8\,500$ square degrees and the redshift range $0.2<z<0.7$. We also compare these results with those from the publicly released DR9 and DR10 samples. Assuming a concordance $\Lambda$CDM cosmological model, the DR11 sample covers a volume of 13\,Gpc${}^3$ and is the largest region of the Universe ever su…
Cosmological bounds on neutrino statistics
2018
We consider the phenomenological implications of the violation of the Pauli exclusion principle for neutrinos, focusing on cosmological observables such as the spectrum of Cosmic Microwave Background anisotropies, Baryon Acoustic Oscillations and the primordial abundances of light elements. Neutrinos that behave (at least partly) as bosonic particles have a modified equilibrium distribution function that implies a different influence on the evolution of the Universe that, in the case of massive neutrinos, can not be simply parametrized by a change in the effective number of neutrinos. Our results show that, despite the precision of the available cosmological data, only very weak bounds can …
Non-linear evolution of the cosmic neutrino background
2012
We investigate the non-linear evolution of the relic cosmic neutrino background by running large box-size, high resolution N-body simulations which incorporate cold dark matter (CDM) and neutrinos as independent particle species. Our set of simulations explore the properties of neutrinos in a reference Lambda CDM model with total neutrino masses between 0.05-0.60 eV in cold dark matter haloes of mass 10(11) – 10(15) h(-1) M-circle dot, over a redshift range z = 0 – 2. We compute the halo mass function and show that it is reasonably well fitted by the Sheth-Tormen formula, once the neutrino contribution to the total matter is removed. More importantly, we focus on the CDM and neutrino proper…