In an attempt to shed light on the environmental effects on the deactivation channels of the PYP chromophore, radiative and non-radiative deactivation mechanisms of the anionic p-coumaric acid methyl ester (pCE-) in the gas phase and water solution are compared at the CASPT2//CASSCF/cc-pVDZ level and, when necessary, at the CASPT2//CASPT2/cc-pVDZ level. We find that the solvent produces dramati...

The recognition that water plays a central role in industrial, agricultural, economic, social and cultural development has, over the past half century, led to the development of strategic management approaches based on the concept of integrated water resources management (IWRM). This paper assesses the extent to which IWRM theory has been converted into practice and identifies existing "researc...

Achieving compliance with the mandatory standards of the 1976 Bathing Water Directive (76/160/EEC) is required at all U.K. identified bathing waters. In recent years, the Fylde coast has been an area of significant investments in 'point source' control, which have not proven, in isolation, to satisfactorily achieve compliance with the mandatory, let alone the guide, levels of water quality in t...

Intraseasonal variations of upper tropospheric water vapor in Asian monsoon region R. Zhan, J. Li, and A. Gettelman State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics (LASG), Institute of Atmospheric Physics, Chinese Academy of Sciences, Beijing, China National Center for Atmospheric Research, Boulder, CO, USA Received: 23 May 2006 – Accepted: 7 J...

A third generation water bath based black-body source has been designed and constructed in the Radiometric Physics Division at the National Institute of Standards and Technology, Gaithersburg, MD. The goal of this work was to design a large aperture blackbody source with improved temporal stability and reproducibility compared with earlier designs, as well as improved ease of use. These blackbo...

The nonadiabatic decay of the biologically relevant guanine tautomer (9H-guanine) in aqueous solution has been investigated by trajectory surface hopping simulations in a quantum mechanical-molecular mechanical (QM-MM) framework. The QM part (9H-guanine) was treated at the semiempirical OM2/MRCI level, while the MM part (water) was described by the TIP3P force field. The optimized geometries fo...

The experimental and theoretical studies of supercooled liquid water strongly suggest that the two liquid waters and their liquid-liquid critical point (LLCP) exist at low temperature. However, the decisive experimental evidence of the LLCP has not been obtained because of the rapid crystallization of liquid water in the "no-man's land." Here, we observed experimentally the pressure-induced pol...

The title compound, (C(5)H(12)NO)(2)[ZnBr(4)], was synthesized by hydro-thermal reaction of ZnBr(2) with 4-methyl-morpholine in a HBr/distilled water solution. Each of the two independent cations exhibits a chair conformation; the anion deviates slightly from an tetrahedral configuration. The Zn-Br distances in the anion are in the range of 2.3996 (9)-2.4247 (9) Å. All of the amine H atoms are ...

Sediment is an essential, integral and dynamic part of our river basins. A healthy river needs sediment as a source of life. Unfortunately, sediment also acts as a potential sink for many hazardous chemicals. Above a certain level of contamination this will result in negative impacts such a loss of biodiversity. This is deemed intolerable by society and hence the European Water Framework Direct...

An interdisciplinary approach is often described as a valuable strategy to assist in overcoming the existing and emerging challenges to water resource management. The development of educational approaches to instil a culture of interdisciplinarity in the future generation of water resource professionals will help to meet this strategic need. The Vienna Doctoral Programme on Water Resource Syste...