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The fact that microplastics can accumulate organic pollutants from the environment and transport them has been known for some time. What is new, however, is that metals can also be transported in this...
Hyperspectral remote sensing is a completely non-invasive technology for measurement of cultural relics, and has been successfully applied in identification and analysis of pigments of Chinese histori...
Accurate remote sensing water extraction is one of the primary tasks of watershed ecological environment study. Since the Yanhe water system has typical characteristics of a small water volume and nar...
Department of Soil Science and Soil Protection, Faculty of Agrobiology, Food and Natural Resources, Czech University of Life Sciences Prague,ments were carried out at low pH (1.5–3.1). The results o...
CoMFA Study of Chiral Catalysts     Chiral Catalysts       2015/1/9
A QSAR using Comparative Molecular Field Analysis (CoMFA) is developed for a set of 23 catalysts containing bis-oxazoline or phosphino-oxazoline ligands that are known to induce asymmetry during the D...
Rapidly decreasing numbers of viable therapeutic leads in the pharmaceutical pipeline demand new, sustainable methods for improved drug discovery and development. Despite vast improvements in de novo ...
Understanding the damage of DNA bases from hydrogen abstraction by free OH radicals is of particular importance to reveal the effect of hydroxyl radicals produced by the secondary effect of radiation....
To address the issue of electron correlation driven superconductivity in graphene, we perform a systematic quantum Monte Carlo study of the pairing correlation in the t -U-V Hubbard model on a honeyco...
We present a first velocity map imaging study on the 234 nm photodissociation dynamics of two carbon-chain branched alkyl bromides, neopentyl bromide (denoted as NPB) and tert-pentyl bromide (denoted ...
Using density functional theory and polarizable continuum models, we study the Raman spectra of aqueous peroxynitric acid. The calculated results indicate that the solvent effect has significant influ...
The minimum-energy configurations and energetic properties of the ArN-CO2 (N=1-19) van der Waals clusters were investigated by a simulated annealing algorithm. A newly de-veloped Ar-CO2 potential ener...
The crossed beams scattering dynamics of the F+HD→DF+H reaction have been studied at collision energies ranging from 8.19 kJ/mol to 18.98 kJ/mol using the high resolution H-atom Rydberg tagging time-o...
All-atom molecular dynamics (MD) simulation and the NMR spectra are used to investi-gate the interactions in N-glycylglycine aqueous solution. Different types of atoms exhibit different capability in ...
The dynamics of F+HD→HF+D reaction has been studied at ten collision energies rang-ing from 5.43 kJ/mol to 18.73 kJ/mol using high-resolution H/D atom Rydberg tagging time-of-flight method. Product vi...
The electronic and magnetic properties of Ce doped SrMnO3 have been investigated us-ing the pseudo-potential plane wave method within the generalized gradient approximation method by first principles....

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