Application of the ABEEM/MM model in studying the properties of the water clusters (H2O) n ( n =7?10)

ABEEM/MM model has been applied to compute the various properties characterizing water clusters (H₂O) _n (n = 7−10), such as optimized geometries, the hydrogen bonds number, cluster interaction energies, stabilities, ABEEM charge distributions, dipole moments, structural parameters, and so on, and to describe the transition reflected by the hexamer region from two-dimensional (from dimer to pentamer) to three-dimensional structures (for clusters larger than the hexamer). Supported by the National Natural Science Foundation of China (Grant No. 20373021)     

青霉素基团性质的分析

以密度泛函理论和电负性均衡原理为基础,应用修正的电负性均衡方法,并自编程序,用最小二乘法,拟合确定了H,C,O,N,F和Cl以及S等各种类型原子的价态电负性、价态硬度和能量的相关参数;从电负性均衡原理的观点,利用这些参数确定了一些青霉素基团的电负性和电荷分布,并进行了讨论.     

Negative and Infinite Fukui Functions: The Role of Diagonal Dominance in the Hardness Matrix

The possible genesis of negative atom condensed Fukui functions is discussed based on hardness kernel matrix relationships. The recent hypothesis that diagonal dominance of the hardness matrix is a requirement for positive Fukui functions is proven, and general considerations also predict the possibility of regions with numerically unstable Fukui functions, including discontinuities.     

基于直方图均衡化的Robinson图像边缘检测算法

针对图像边缘检测,现有Robinson相关算法存在效率低、阈值设定随机性大、易出现伪边缘等问题,提出一种改进Robinson的图像边缘检测算法。该算法利用直方图均衡化对图像进行增强,然后将Robinson算子原有的八方向梯度依照两两垂直原则组合为八组,分别计算每组梯度的范数,并取其最大值作为该像素点的梯度。最后取整幅图像的灰度均值作为阈值来识别图像的边缘像素和背景像素。实验表明,相对于现有相关算法,该算法检测结果更加清晰完整,同时避免了传统算子人为设定阈值随机性大的问题。     

Image contrast enhancement using adjacent-blocks-based modification for local histogram equalization

Infrared images usually have some non-ideal characteristics such as weak target-to-background contrast and strong noise. Because of these characteristics, it is necessary to apply the contrast enhancement algorithm to improve the visual quality of infrared images. Histogram equalization (HE) algorithm is a widely used contrast enhancement algorithm due to its effectiveness and simple implementation. But a drawback of HE algorithm is that the local contrast of an image cannot be equally enhanced. Local histogram equalization algorithms are proved to be the effective techniques for local image contrast enhancement. However, over-enhancement of noise and artifacts can be easily found in the local histogram equalization enhanced images. In this paper, a new contrast enhancement technique based on local histogram equalization algorithm is proposed to overcome the drawbacks mentioned above. The input images are segmented into three kinds of overlapped sub-blocks using the gradients of them. To overcome the over-enhancement effect, the histograms of these sub-blocks are then modified by adjacent sub-blocks. We pay more attention to improve the contrast of detail information while the brightness of the flat region in these sub-blocks is well preserved. It will be shown that the proposed algorithm outperforms other related algorithms by enhancing the local contrast without introducing over-enhancement effects and additional noise.     

近程高速水声毫米波通信仿真与试验验证*

水声信道的严重双扩特性极大地限制了水声高速通信的稳健性。针对近程高速水声通信技术的需求,该文基于水声毫米波频段,提出了一种基于超奈奎斯特发射技术及高阶调制技术的单载波的水声毫米波通信技术。而超奈奎斯特发射技术以及高阶调制给接收机带来了极大的挑战:一是超奈奎斯特发射技术引入了严重的符号间干扰,二是高阶调制系统的符号检测对信道估计的精度要求很高。针对以上问题,该文提出了一种基于迭代信道估计技术的迭代软反馈DFE接收机技术。仿真实验表明:采用128QAM高阶调制时,在较为严重的多途衰落信道条件下,采用所提出的接收机可以在15 dB时实现无误码传输。信道水池试验证明:当通信带宽为300 kHz,通信符号率为300k符号/秒且采用64QAM调制时,在发射平台慢速运动的条件下可以实现900 kbps的净数据率,其相应的频谱利用率高达6 Bits/s/Hz。     

基于分数间隔的四二阶归一化累积量盲均衡算法

针对目前分数间隔盲均衡算法存在的缺陷,提出了基于分数间隔的四二阶归一化累积量盲均衡算法.先对接收信号进行分数间隔采样,然后利用四二阶归一化累积量将盲均衡算法归结为无约束的极值问题,从而简化了算法,加快了收敛速度,降低了误码率.仿真验证了算法的有效性.     

基于改进型平台直方图的红外均衡化算法

针对红外图像特别是红外弱小目标图像的特点,提出了一种基于改进型平台的直方图均衡算法。在设置统计上限平台阈值的基础上,设置了累计直方图上限阈值,并用修改的映射函数算法对图像进行均衡化处理。算法中的上限统计平台阈值对噪声进行了适当抑制,累计平台阈值自适应控制映射动态范围,从而克服了平台直方图均衡化对动态范围较窄的红外图像过分拉仲的缺点。相对平台直方图的均衡算法,该方法能够对多种复杂场景增强图像整体效果,在抑制噪声的同时较好地保持了图像细节。     

一种可控的视频图像动态对比度增强算法

为增强显示设备进行视频信号显示时的图像对比度,提出了一种幅度可控的动态对比度增强算法。该算法利用一组归一化线性直方图数据和输入图像的归一化灰度直方图数据的结合,实现对输入图像的权重化直方图均衡化处理,进而达到幅度可控的动态对比度增强效果。该算法可以通过控制对比度增强幅度来避免传统直方图均衡化产生的过增强现象。将基于该算法的实时图像处理器应用于50英寸AC PDP上,实验结果表明,其对比度获得显著提升,并且能够根据外部接口的调节实现幅度可控的对比度增强效果。     

Relation between the Fukui function and the Coulomb hole

By using a coarse-grain representation of the molecular electronic density, we demonstrate that the value of the condensed Fukui function at an atomic site is directly related to the polarization charge (Coulomb hole) induced by a test electron removed (or added) from (at) the atom. The link between the formation of an electron-hole pair and the condensed Fukui function provides insights on the possible negativity of the Fukui function which is interpreted in terms of two phenomena: overscreening and over-strengthening.