Classification of Cm I energy levels using PCA-BPN and PCA-NLM

Two pattern recognition (PR) techniques, principal component analysis-back propagation networks (PCA-BPN) and principal component analysis-nonlinear mapping (PCA-NLM), have been applied to the problem of classifying unknown energy levels of the first spectrum of curium (Cm I) according to their configurations. In comparison, with those reported by early PR techniques and counter propagation neural networks (CPN's), PCA-BPN has been demonstrated to possess much more prediction accuracy as to its performance on test sets. Obtained results further confirm the most previous assignments with these energy levels given by some early PR techniques and CPN. Moreover, the obtained results definitely reassign some energy levels' electronic configurations which were ambiguously conjectured in previous work.     

杂原子B—ZSM—35沸石的干法合成,表征及CO＋H2反应性能的研究

首次利用吸附态模板剂在Ｎａ２Ｏ－ＳｉＯ２－Ｂ２Ｏ３－ＤＥＡ干粉体系中合成了杂原子Ｂ－ＳＺＭ－３５沸石，ＸＲＤ，ＳＥＭ，ＩＲ，及ＣＯ加氢反应研究了其物理化学特性。结果表明，Ｂ原子同晶取代Ａｌ原子进入ＺＳＭ－３５沸石骨加。     

锌,锰对K—Fe／ZSM—48CO加氢催化反应性能的影响

锌、锰对ＫＦｅ／ＺＳＭ４８ＣＯ加氢催化反应性能的影响范彬彬马静红樊卫斌李瑞丰曹景慧（太原工业大学精细化工研究所，太原０３００２４）关键词ＣＯ加氢，ＺＳＭ４８，助剂效应ＫＦｅ／ＺＳＭ４８在一氧化碳加氢合成低碳烯烃的反应中表现出良好的性能。沸石载体不仅...     

Production of 2,3- butanediol from pretreated corn cob byKlebsiella oxytoca in the presence of fungal cellulase

A simple and effective method of treatment of lignocellulosic material was used for the preparation of corn cob for the production of 2,3-butanediol byKlebsiella oxytoca ATCC 8724 in a simultaneous saccharification and fermentation process. During the treatment, lignin, and alkaline extractives were solubilized and separated from cellulose and hemicellulose fractions by dilute ammonia (10%) steeping. Hemicellulose was then hydrolyzed by dilute hydrochloric acid (1%, wJv) hydrolysis at 100°C at atmospheric pressure and separated from cellulose fraction. The remaining solid, with 90% of cellulose, was then used as the substrate. A butanediol concentration of 25 g/L and an ethanol concentration of 7 g/L were produced byK. oxytoca from 80 g/L of corn cob cellulose with a cellulase dosage of 8.5 IFPU/g corn cob cellulose after 72 h of SSF. With only dilute acid hydrolysis, a butanediol production rate of 0.21 g/L/h was obtained that is much lower than the case in which corn cob was treated with ammonia steeping prior to acid hydrolysis. The butanediol production rate for the latter was 0.36 g/L/h.     

A new algorithm for the fixed-node quantum Monte Carlo method

A novel algorithm is proposed for the fixed-node quantum Monte Carlo (FNQMC) method.In contrast to previous procedures,its "guiding function" is not optimized prior to diffusion quantum Monte Carlo (DMC) computation but synchronistically in the diffusion process The new algorithm can not only save CPU time,but also make both of the optimization and diffusion carried out according to the same sampling fashion,reaching the goal to improve each other This new optimizing procedure converges super-linearly,and thus can accelerate the particle diffusion During the diffusion process,the node of the "guiding function" changes incessantly,which is conducible to reducing the "fixed-node error" The new algorithm has been used to calculate the total energies of states X3B1 and a1A1 of CH2 as well as π-X2B1 and λ-2A1 of NH2 The singlet-triplet energy splitting (λEsT) in CH2 and π energy splitting in NH2 obtained with this present method are (45 542±1.840) and (141.644±1.589) kJ/mol,respectively The calculated