Eu@C86 isomers: Calculated relative populations

Abstract

Relative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C₈₆ are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?～?SDD entropy term, M06-2X/6-31G*～SDD or B2PLYP(D)/6-31G*～SDD energetics). The calculations confirm that the recently isolated Eu@C₁(7)-C₈₆ species is a major isomer in a relevant temperature region. Relationship to the empty C₈₆ cages is discussed, too.     

A novel method based on convolutional neural networks for deriving standard 12-lead ECG from serial 3-lead ECG

Frontiers of Information Technology & Electronic Engineering - Reconstruction of a 12-lead electrocardiogram (ECG) from a serial 3-lead ECG has been researched in the past to satisfy the need...     

溶剂浸渍树脂的萃取分离性能研究

介绍了溶剂浸渍树脂的制备及性能,阐述了溶剂浸渍树脂在产物提纯和废水处理等分离过程中的应用,并对使用溶剂浸渍树脂处理含酚废水进行了初步研究.     

Synthesis of amphiphilic magnetic microspheres by dispersion copolymerization of styrene and poly(ethylene oxide) macromonomer

Amphiphilic magnetic microspheres ranging in diameter from 5 to 100 µm were prepared by dispersion copolymerization of styrene and poly(ethylene oxide) vinylbenzyl (PEO‐VB) macromonomer (MPEO) in the presence of Fe₃O₄ magnetic fluid. The effects of various polymerization parameters on the average particle size were systematically investigated. The average particle size was found to increase with increasing styrene concentration and initiator concentration. It also increased with decreasing stabilizer concentration and molecular weight of MPEO. The content of the hydroxyl groups localized in the microspheres ranged from 0.01 to 0.2 mmol g^?1. © 2003 Society of Chemical Industry     

加入WTO后对中国会计业的影响

中国政府已于2001年12月正式加入做为当代世界规范和经济贸易关系最具权威的国际性组织WTO.加入WTO,对中国来说既是机遇,同时又是挑战,它的影响是全面的、全方位的.而对于中国会计业的影响也是深刻的,中国经济、中国企业要走向世界,中国的会计业也必须直面世界,按国际惯例行事,因此,深刻研究和分析加入WTO后对中国会计业的冲击、挑战以制定相应的政策、方针、准则就显得非常的迫切.     

Goppa geometric codes achieving the Gilbert-Varshamov bound

Based on s-zeta-functions of curves over finite fields, we show that Goppa geometry codes achieve the q-ary Gilbert-Varshamov bound for all prime powers q (including q=2)     

公路边坡培植柠条的探讨

介绍了河曲公路所处的自然环境 ,阐述了人工铲草的利与弊 ,进而提出了边坡培植柠条的效益分析 ,并对培植柠条的苗期管理及与养护生产的关系进行了介绍     

Grazing incidence reflection absorption Fourier transform infrared (GIRA-FTIR) spectroscopic studies on the ferroelectric behavior of poly(vinylidene fluoride–trifluoroethylene) ultrathin films

Grazing incidence reflection absorption Fourier transform infrared (GIRA-FTIR) spectroscopy was used to characterize the ferroelectric behavior of a thin poly(vinylidene fluoride–trifluoroethylene) P(VDF–TrFE) copolymer. The lab-built GIRA-FTIR apparatus allowed the heating and corona poling process to be carried out whilst collecting the GIRA spectra of the thin polymer film. The Curie transition from the ferroelectric to paraelectric phase was confirmed from the abrupt change in intensity of the 849 cm⁻¹ band in the RA-FTIR spectrum. It was found that the Curie temperature dropped dramatically when the film thickness was lowered to below a certain critical value of approximately 100 nm. The switching of the CF₂ dipoles in the ferroelectric crystals after applying the external electric field could be determined by monitoring the change in the 849 cm⁻¹ band intensity. For the 600 nm thick P(VDF–TrFE) film, the switching of the dipoles appears to occur almost instantaneously, while the kinetics of dipole switching of the 75 nm thick film were significantly retarded. The repeated switchability of the CF₂ dipoles upon the application of a bipolar cyclic electric field was also confirmed. The bistability of the film due to remnant polarization was also confirmed from the absorbance of the 849 cm⁻¹ band after removing the applied voltage during corona poling.