in this paper, we use molecular dynamics and finite element simulations to determine the mechanical properties of single-crystal metal of silver (ag) with nano-holes. the lattice transition method from 3-dimensions into 2-dimentions in molecular dynamics simulation as well as plane stress model in finite element method, is used to lessen the simulation time consuming. elasticity module reductio...

a water soluble polysaccharide, hb-1, with a molecular weight of 23,930, was isolated from radix ranunculi ternati. by hot water extraction, ethanol precipitation, deproteination，ultrafiltration and gel-filtration column chromatography. its sugar composition was determined by glc as glc, ara, and gal in a molar ration of 16.071: 2.722: 1. and the absolute configuration of glc was identified as ...

stabilities and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized (8,0) zigzag and (4,4) armchair carbon nanotubes (cnts) complexes in water were studied using density functional theory (dft) calculations. two attachments namely the sidewall- and tip-attachments are considered for the model constructions. calculations of the total electronic energy (et) and ...

A water soluble polysaccharide, HB-1, with a molecular weight of 23,930, was isolated from radix Ranunculi ternati. by hot water extraction, ethanol precipitation, deproteination，ultrafiltration and gel-filtration column chromatography. Its sugar composition was determined by GLC as Glc, Ara, and Gal in a molar ration of 16.071: 2.722: 1. And the absolute configuration of Glc was identified as ...

We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing strong-field ionization small gas-phase molecules. After outlining general equations motion used in our treatment this method, we example calculations helium, lithium hydride, water, and ethylene that demonstrate utility implementation. The following companion paper speci...

A water soluble polysaccharide, HB-1, with a molecular weight of 23,930, was isolated from radix Ranunculi ternati. by hot water extraction, ethanol precipitation, deproteination，ultrafiltration and gel-filtration column chromatography. Its sugar composition was determined by GLC as Glc, Ara, and Gal in a molar ration of 16.071: 2.722: 1. And the absolute configuration of Glc was identified as ...