期刊文献+
共找到52篇文章
< 1 2 3 >
每页显示 20 50 100
瓦斯含量计量单位的基准调整初探 被引量:1
1
作者 张聚法 《中国煤炭地质》 2008年第B09期46-46,72,共2页
根据山西省左权县高家庄勘探报告与山西省平定县孟家村勘探报告中的CH4实际测试资料,分别用ml/gdaf和ml/g(ad)不同基准计量单位计算了CH4含量,进而阐述了不同瓦斯含量基准计量单位对勘探成果的影响,并认为用ml/gdaf基准计量单位,不能真... 根据山西省左权县高家庄勘探报告与山西省平定县孟家村勘探报告中的CH4实际测试资料,分别用ml/gdaf和ml/g(ad)不同基准计量单位计算了CH4含量,进而阐述了不同瓦斯含量基准计量单位对勘探成果的影响,并认为用ml/gdaf基准计量单位,不能真正反应正常煤层的储气特征,因而建议将基准作相应调整。 展开更多
关键词 瓦斯含 瓦斯损失 瓦斯解析量 基准计单位
下载PDF
煤体含水量对瓦斯解吸特性影响规律实验研究
2
作者 王晓东 《煤》 2019年第11期78-80,共3页
为了验证含水量对煤体中瓦斯解吸特性的影响,以新景矿3号煤层为实验对象对煤体的饱和吸附量、解吸量和解吸速度进行了测试。结果表明:随着煤体含水量的增加,煤体的瓦斯吸附量逐渐减少,且减少幅度越来越小;随着煤体含水量的增加,煤体的... 为了验证含水量对煤体中瓦斯解吸特性的影响,以新景矿3号煤层为实验对象对煤体的饱和吸附量、解吸量和解吸速度进行了测试。结果表明:随着煤体含水量的增加,煤体的瓦斯吸附量逐渐减少,且减少幅度越来越小;随着煤体含水量的增加,煤体的瓦斯解析量减少且解吸速度越慢;含水量达到11.5%后,含水量对煤体的瓦斯解吸特性影响非常小。研究结果对确定瓦斯压力和突出风险具有重要的作用。 展开更多
关键词 煤体含水 吸附 解析量 解吸速度
下载PDF
煤层瓦斯实验影响因素分析与研究
3
作者 乞义 《中文科技期刊数据库(文摘版)工程技术》 2024年第5期0005-0008,共4页
煤层瓦斯是煤炭开采中的主要安全隐患之一,煤层瓦斯事故频发,严重影响了矿工的安全生产和生活。本研究通过对煤层瓦斯实验数据进行收集和分析,探讨现场解析量、损失量、实验室脱气量、瓦斯含量(气体组分摩尔分率)等不同因素对煤层瓦斯... 煤层瓦斯是煤炭开采中的主要安全隐患之一,煤层瓦斯事故频发,严重影响了矿工的安全生产和生活。本研究通过对煤层瓦斯实验数据进行收集和分析,探讨现场解析量、损失量、实验室脱气量、瓦斯含量(气体组分摩尔分率)等不同因素对煤层瓦斯涌出量的影响。结果表明,现场解吸量和损失量中的瓦斯含量的成分分析有显著影响,以Gbt23249-2009《地勘时期煤层瓦斯含量测定方法》和Gbt23250-2007《煤层瓦斯含量直接测定方法》为例存在很大的不同,根据Clapeyron方程,现场解析量和损失量、实验室脱气量随着温度压力的变化存在着很大不同;实验室瓦斯解残余气体含量对瓦斯涌出量的变化也有着很大的影响;煤工业分析中的灰分、水分以及煤的可燃质对相对瓦斯涌出量有着显著的影响。通过对这些数据的深入分析,可以为煤矿安全生产提供科学依据和技术支持,从而减少煤层瓦斯事故的发生,保障矿工的安全和健康。 展开更多
关键词 现场解析量 损失 煤的可燃质 煤的水分 煤的灰分 瓦斯含 瓦斯残余气体含 实验室脱气
下载PDF
有机无机肥配合对土壤磷素吸附、解吸和迁移特性的影响 被引量:18
4
作者 李想 刘艳霞 +1 位作者 刘益仁 徐阳春 《核农学报》 CAS CSCD 北大核心 2013年第2期253-259,共7页
通过32P示踪、薄层层析和土柱淋洗研究了经过四季不施磷肥、施用纯无机磷肥以及有机无机磷肥3种处理对土壤磷素迁移的影响。结果表明:有机无机肥配合处理的土壤磷吸附亲和力常数和最大吸附量显著低于化肥处理,磷累积解析量高于化肥处理,... 通过32P示踪、薄层层析和土柱淋洗研究了经过四季不施磷肥、施用纯无机磷肥以及有机无机磷肥3种处理对土壤磷素迁移的影响。结果表明:有机无机肥配合处理的土壤磷吸附亲和力常数和最大吸附量显著低于化肥处理,磷累积解析量高于化肥处理,而32P在薄层板的迁移距离显著高于化肥及对照处理;淋洗试验中有机无机肥配合处理土壤中的32P最先在淋洗液达到13.1mL时出现,而化肥及对照的32P则分别在淋洗液达19.0和19.8mL时出现;在淋洗液体积达到50mL时,对照、化肥及有机无机肥配合处理淋出的32P总量分别为总加入量的1.6%、8.4%和9.8%。有机无机肥配合可以减少土壤磷素的固定,增强磷在土壤中的移动,提高磷的有效性。 展开更多
关键词 有机无机肥配合 32P 吸附特性 累积解析量 淋洗
下载PDF
Singularity-free expression of magnetic field of cuboid under undulating terrain 被引量:4
5
作者 匡星涛 杨海 +1 位作者 朱晓颖 李伟 《Applied Geophysics》 SCIE CSCD 2016年第2期238-248,416,共12页
Most of the current computing methods used to determine the magnetic field of a uniformly magnetized cuboid assume that the observation point is located in the upper half space without a source. However, such methods ... Most of the current computing methods used to determine the magnetic field of a uniformly magnetized cuboid assume that the observation point is located in the upper half space without a source. However, such methods may generate analytical singularities for conditions of undulating terrain. Based on basic geomagnetic field theories, in this study an improved magnetic field expression is derived using an integration method of variable substitution, and all singularity problems for the entire space without a source are discussed and solved. This integration process is simpler than that of previous methods, and final integral results with a more uniform form. AT at all points in the source-flee space can be calculated without requiring coordinate transformation; thus forward modeling is also simplified. Corresponding model tests indicate that the new magnetic field expression is more correct because there is no analytical singularity and can be used with undulating terrain. 展开更多
关键词 Undulating terrain magnetic field of cuboid variable substitution analytical singularity
下载PDF
Analytical Modeling of Threshold Voltage for Double-Gate MOSFET Fully Comprising Quantum Mechanical Effects
6
作者 张大伟 田立林 余志平 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2005年第3期429-435,共7页
The analytical solutions to 1D Schrdinger equation (in depth direction) in double gate (DG) MOSFETs are derived to calculate electron density and threshold voltage.The non uniform potential in the channel is concern... The analytical solutions to 1D Schrdinger equation (in depth direction) in double gate (DG) MOSFETs are derived to calculate electron density and threshold voltage.The non uniform potential in the channel is concerned with an arbitrary depth so that the analytical solutions agree well with numerical ones.Then,an implicit expression for electron density and a closed form of threshold voltage are presented fully comprising quantum mechanical (QM) effects.This model predicts an increased electron density with an increasing channel depth in subthreshold region or mild inversion region.However,it becomes independent on channel depth in strong inversion region,which is in accordance with numerical analysis.It is also concluded that the QM model,which barely considers a box like potential in the channel,slightly over predicts threshold voltage and underestimates electron density,and the error increases with an increasing channel depth or a decreasing gate oxide thickness. 展开更多
关键词 DG MOSFET 1D analytical QM solution non uniform potential in channel depth direction electron density threshold voltage channel depth
下载PDF
基于非结构化单元的磁场及梯度模拟计算 被引量:1
7
作者 刘长生 张芙蓉 《长沙航空职业技术学院学报》 2021年第2期37-41,共5页
在地球物理磁法勘探中,磁场及其梯度张量数据是磁法正反演及解释的重要基础。本文结合磁梯度张量解析解表达式,实现了一种基于非结构化四面体单元的磁场及梯度模拟计算方法,该方法弥补了传统方法难以处理任意复杂模型的缺陷,同时大幅提... 在地球物理磁法勘探中,磁场及其梯度张量数据是磁法正反演及解释的重要基础。本文结合磁梯度张量解析解表达式,实现了一种基于非结构化四面体单元的磁场及梯度模拟计算方法,该方法弥补了传统方法难以处理任意复杂模型的缺陷,同时大幅提高了模拟计算精度。首先,采用非结构化单元剖分异常体可以显著地减小几何误差,更好地模拟带地形复杂模型。其次,采用新的磁梯度张量解析解表达式,其精度比传统的有限元、有限差分方法更高。本文设计了单个球体模型和组合体模型,模拟计算结果体现了该方法的适用性和准确性。 展开更多
关键词 磁梯度张解析 四面体单元 复杂模型
下载PDF
Three direction analytical signal analysis method of magnetic gradient tensor and application in the interpretation 被引量:3
8
作者 Guo Can-wen Xing Zhe +2 位作者 Wang Lin-fei Ma Yong Huan Heng-fei 《Applied Geophysics》 SCIE CSCD 2020年第2期285-296,317,共13页
Compared to conventional magnetic data,magnetic gradient tensor data contain more high-frequency signal components,which can better describe the features of geological bodies.The directional analytic signal of the mag... Compared to conventional magnetic data,magnetic gradient tensor data contain more high-frequency signal components,which can better describe the features of geological bodies.The directional analytic signal of the magnetic gradient tensor is not easily interfered from the tilting magnetization,but it can infer the range of the fi eld source more accurately.However,the analytic signal strength decays faster with depth,making it diffi cult to identify deep fi eld sources.Balanced-boundary recognition can eff ectively overcome this disadvantage.We present here a balanced-boundary identifi cation technique based on the normalization of three-directional analytic signals from aeromagnetic gradient tensor data.This method can eff ectively prevent the fast attenuation of analytic signals.We also derive an Euler inversion algorithm of three-directional analytic signal derivative.By combining magnetic-anomaly model testing with the traditional magnetic anomaly interpretation method,we show that the boundary-recognition technology based on a magnetic gradient tensor analytic signal has a greater advantage in identifying the boundaries of the geological body and can better refl ect shallow anomalies.The characteristics of the Euler equation based on the magnetic anomaly direction to resolve the signal derivative have better convergence,and the obtained solution is more concentrated,which can obtain the depth and horizontal range information of the geological body more accurately.Applying the above method to the measured magneticanomaly gradient data from Baoding area,more accurate fi eld source information is obtained,which shows the feasibility of applying this method to geological interpretations. 展开更多
关键词 magnetic gradient tensor analytic signal edge detection
下载PDF
Solutions of Dirac Equation for Makarov Potential with Pseudospin Symmetry 被引量:1
9
作者 ZHOU Fang WU Yong GUO Jian-You 《Communications in Theoretical Physics》 SCIE CAS CSCD 2009年第11期813-816,共4页
The pseudospin symmetry in the Makarov potential is investigated systematically by solving the Diracequation.The analytical solution for the Makarov potential with pseudospin symmetry is obtained by Nikiforov-Uvarov(N... The pseudospin symmetry in the Makarov potential is investigated systematically by solving the Diracequation.The analytical solution for the Makarov potential with pseudospin symmetry is obtained by Nikiforov-Uvarov(N-U)method.The eigenfunctions and eigenenergies are presented with equal mixture of vector and scalar potentials inopposite signs,for which is exact. 展开更多
关键词 Nikiforov-Uvarov method Makarov potential Dirac equation
下载PDF
Thermogravimetric Study and Modeling of Direct Sulfation of Limestone by Sulfur Dioxide 被引量:3
10
作者 R.Hallaj M.Nikazar B.Dabir 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2004年第4期566-569,共4页
The direct sulfation of limestone from different sources in Iran was studiedin a thermogravimetric analyzer under atmospheric pressure. All limestone samples tested have higherthan 97% CaCO_3. Experimental conditions ... The direct sulfation of limestone from different sources in Iran was studiedin a thermogravimetric analyzer under atmospheric pressure. All limestone samples tested have higherthan 97% CaCO_3. Experimental conditions were as follows: particle size levels ranging from 1.6 μmto 7.8 μm, four level reaction temperatures (700℃, 750℃, 800℃ and 850℃), and two SO_2concentrations (2.4 x 10^(-3) and 3.2 x 10^(-3) mol · mol^(-1)). The particle size and temperatureshowed dominant influences on the rate and level of conversion while the effect of SO_2concentration was weak. The shrinking core model can be used to describe the behavior of thesulfation process. The reaction kinetics and diffusion mechanism are both important in controllingthe rate of the process. The two key parameters of the model, chemical rate constant K_s andeffective diffusion coefficient D_(eff) were obtained. Model predictions are in good agreement withthe experimental data. 展开更多
关键词 air pollution control DESULFURIZATION flue gas desulfurization shrinkingcore model
下载PDF
Oblique Wave Motion over Multiple Submerged Porous Bars near a Vertical Wall 被引量:3
11
作者 ZHAO Yang LIU Yong +1 位作者 LI Huajun CHANG Anteng 《Journal of Ocean University of China》 SCIE CAS CSCD 2017年第4期568-574,共7页
This study examines oblique wave motion over multiple submerged porous bars in front of a vertical wall. Based on linear potential theory, an analytical solution for the present problem is developed using matched eige... This study examines oblique wave motion over multiple submerged porous bars in front of a vertical wall. Based on linear potential theory, an analytical solution for the present problem is developed using matched eigenfunction expansions. A complex dispersion relation is adopted to describe the wave elevation and energy dissipation over submerged porous bars. In the analytical solution, no limitations on the bar number, bar size, and spacing between adjacent bars are set. The convergence of the analytical solution is satisfactory, and the correctness of the analytical solution is confirmed by an independently developed multi-domain BEM (boundary element method) solution. Numerical examples are presented to examine the reflection and transmission coefficients of porous bars, CR and Cv, respectively, for engineering applications. The calculation results show that when the sum of widths for all the porous bars is fixed, increasing the bar number can significantly improve the sheltering function of the bars. Increasing the bar height can cause more wave energy dissipation and lower CR and Cr. The spacing between adjacent bars and the spacing between the last bar and the vertical wall are the key parameters affecting CR and Ct. The proposed analytical method may be used to analyze the hydrodynamic performance of submerged porous bars in preliminary engineering designs. 展开更多
关键词 multiple porous bars oblique wave vertical wall reflection coefficient transmission coefficient
下载PDF
Key Exchange Protocol Based on Tensor Decomposition Problem 被引量:1
12
作者 MAO Shaowu ZHANG Huanguo +3 位作者 WU Wanqing ZHANG Pei SONG Jun LIU Jinhui 《China Communications》 SCIE CSCD 2016年第3期174-183,共10页
The hardness of tensor decomposition problem has many achievements, but limited applications in cryptography, and the tensor decomposition problem has been considered to have the potential to resist quantum computing.... The hardness of tensor decomposition problem has many achievements, but limited applications in cryptography, and the tensor decomposition problem has been considered to have the potential to resist quantum computing. In this paper, we firstly proposed a new variant of tensor decomposition problem, then two one-way functions are proposed based on the hard problem. Secondly we propose a key exchange protocol based on the one-way functions, then the security analysis, efficiency, recommended parameters and etc. are also given. The analyses show that our scheme has the following characteristics: easy to implement in software and hardware, security can be reduced to hard problems, and it has the potential to resist quantum computing.Besides the new key exchange can be as an alternative comparing with other classical key protocols. 展开更多
关键词 key exchange resistant quantum hard problem tensor decomposition
下载PDF
体细胞重编程的转化医学研究
13
作者 李艳华 林杰 +60 位作者 孙长凯 杨晓寒 王敏 刘谟震 万超 刘启贵 尹安春 殷嘉辉 张兵兵 周平 冯斌 张方乙 林永忠 杜建玲 吕明慧 郑铁铮 刘思宇 洪浩 孟醒 夏丹丹 孙阳 魏盼 蔡楠 李红晔 吴爽 赵慧 李彧媛 高长玉 李巍 戴冶 王君德 赵辉 谭小新 门莉莉 马辉 徐军 胡增春 王玲 王宏 孙品 郭慧芳 宋桂荣 刘辉 单宝帅 韩璐 梁琳琅 王晓晨 汪丹 谌桂花 陈建停 孙香友 薛君 王智琦 王婧 张永青 蔡东风 张桂平 栾国明 王建莉 范明 曹雪涛 《转化医学研究(电子版)》 2014年第2期38-67,共30页
脑血管疾病、痴呆、糖尿病、恶性肿瘤、骨退行性病等重大临床疾患的发病率、患病率、病死率和致残率居高不下,细胞保护与细胞损伤修复药物、策略和方法的转化研发、应用与推广一直停滞不前或进展过缓应是其重要原因之一。本研究通过医... 脑血管疾病、痴呆、糖尿病、恶性肿瘤、骨退行性病等重大临床疾患的发病率、患病率、病死率和致残率居高不下,细胞保护与细胞损伤修复药物、策略和方法的转化研发、应用与推广一直停滞不前或进展过缓应是其重要原因之一。本研究通过医学、生物学、数据库构建、程序编写、软件研制、统计分析及管理工程等多个领域专业人员的通力合作,对2012年诺贝尔生理学或医学奖两位获奖者关于"成熟细胞可以被重编程而多能化"的原始研究及其被引用的大规模复杂信息数据做整体定量对比和局部关联解析,探讨体细胞重编程研究的临床应用前景和实现策略,发现两位获奖者原创性研究及其影响在时间、学科、科学和技术等多个层面与角度上差异具有统计学意义,揭示和证明了加强与加快转化医学和转化神经科学研究的时代意义、紧迫需求、重要方向、目标与路径及我国医学科研管理体系因此所面临的重要挑战。 展开更多
关键词 细胞重编程 细胞保护 细胞损伤修复 转化医学 网络药理学 大()数据解析
下载PDF
An Analytical Solution to the Model for Single Three-Level Trapped Ion Driven by External Fields 被引量:1
14
作者 WANG Zhong-Jie CHEN Feng 《Communications in Theoretical Physics》 SCIE CAS CSCD 2007年第4期725-727,共3页
The interaction of a single three-level trapped ion with two laser beams has been studied theoretically. With application of two successive unitary transformations, an analytical solution to this quantum system has be... The interaction of a single three-level trapped ion with two laser beams has been studied theoretically. With application of two successive unitary transformations, an analytical solution to this quantum system has been obtained. 展开更多
关键词 three-level trapped ion unitary transformation Lamb-Dicke limit
下载PDF
Theoretical Study on Xe…N non-Covalent Interactions:Three Hybridization N with XeO_(3) and XeOF_(2)
15
作者 Su-jun Ji Zhi-ling Ding +2 位作者 Hang Yin Dao-yuan Zheng Jin-feng Zhao 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2022年第2期322-330,I0007-I0010,I0002,I0003,共15页
The interactions of complexes of XeOF_(2) and XeO_(3) with a series of different hybridization N-containing donors are studied by means of DFT and MP_(2) calculations.The aerogen bonding interaction energies range fro... The interactions of complexes of XeOF_(2) and XeO_(3) with a series of different hybridization N-containing donors are studied by means of DFT and MP_(2) calculations.The aerogen bonding interaction energies range from 6.5 kcal/mol to19.9 kcal/mol between XeO_(3) or XeOF_(2) and typical N-containing donors.The sequence of interaction for N-containing hy-bridization is sp^(3)>sp^(2)>sp,and XeO_(3)is higher than XeOF_(2).For some donors of sp^(2)and sp^(3) hybridization,the steric effect plays a minor role in the interaction with the evidence of reduced density gradient plots.The dominant stable part is the electrostatic interaction.In complex of XeO_(3),the weight of polarization is larger than dispersion,while the situation is opposite for XeOF_(2)complexes.Except for the sum of the maximum value of molecular electrostatic potential on Xe atom and minimum value of molecular electrostatic potential on N atom,the other five interaction parameters including the potential energy density at bond critical point,the equilibrium distances,interaction energies with the basis set superposition error correction,localized molecular orbital energy decomposition analysis interaction energies,and the electron charge density,show great linear correlation coefficients with each other. 展开更多
关键词 Aerogen bonding Localized molecular orbital energy decomposition analysis Noncovalent interaction Energy component analysis
下载PDF
The new surveying method of studying the internal layer's deformation law
16
作者 梁明 《Journal of Coal Science & Engineering(China)》 2001年第2期36-39,共4页
This thesis illustrates the method and precision of employing analytical photogrammetry to carry out similar materials model experiment in surveying the displacement of surveying points and analyzing the deformation l... This thesis illustrates the method and precision of employing analytical photogrammetry to carry out similar materials model experiment in surveying the displacement of surveying points and analyzing the deformation law of rock layersand earths surface according to the results in the studying the deformation law of the earths surface caused by extracting mine coal underground. 展开更多
关键词 analytical photogrammetry DEFORMATION precision analysis
下载PDF
Exciting Forces for a Wave Energy Device Consisting of a Pair of Coaxial Cylinders in Water of Finite Depth 被引量:1
17
作者 Mohammad Hassan Swaroop Nandan Bora 《Journal of Marine Science and Application》 2013年第3期315-324,共10页
Two coaxial vertical cylinders-one is a riding hollow cylinder and the other a solid cylinder of greater radius at some distance above an impermeable horizontal bottom,were considered.This problem of diffraction by th... Two coaxial vertical cylinders-one is a riding hollow cylinder and the other a solid cylinder of greater radius at some distance above an impermeable horizontal bottom,were considered.This problem of diffraction by these two cylinders,which were considered as idealization of a buoy and a circular plate,can be considered as a wave energy device.The wave energy that is created and transferred by this device can be appropriately used in many applications in lieu of conventional energy.Method of separation of variables was used to obtain the analytical expressions for the diffracted potentials in four clearly identified regions.By applying the appropriate matching conditions along the three virtual boundaries between the regions,a system of linear equations was obtained,which was solved for the unknown coefficients.The potentials allowed us to obtain the exciting forces acting on both cylinders.Sets of exciting forces were obtained for different radii of the cylinders and for different gaps between the cylinders.It was observed that changes in radius and the gap had significant effect on the forces.It was found that mostly the exciting forces were significant only at lower frequencies.The exciting forces almost vanished at higher frequencies.The problem was also investigated for the base case of no plate arrangement,i.e.,the case having only the floating cylinder tethered to the sea-bed.Comparison of forces for both arrangements was carried out.In order to take care of the radiation of the cylinders due to surge motion,the corresponding added mass and the damping coefficients for both cylinders were also computed.All the results were depicted graphically and compared with available results. 展开更多
关键词 DIFFRACTION finite depth virtual boundary exciting force wave energy device coaxial cylinder
下载PDF
Surface Fires: No Wind, No Slope, Marginal Burning
18
作者 Jacques-Henry Balbi Domingos Xavier Viegas +5 位作者 Jean-Louis Rossi Carlos Rossa Francois Joseph Chatelon Dominique Cancellieri Albert Simeoni Thierry Marcelli 《Journal of Environmental Science and Engineering(A)》 2014年第2期73-86,共14页
The first aim of this work is to provide an analytical expression to calculate the rate of spread of surface fires under no wind and no slope conditions. A previous simplified model was improved for this particular ca... The first aim of this work is to provide an analytical expression to calculate the rate of spread of surface fires under no wind and no slope conditions. A previous simplified model was improved for this particular case of fire propagation. The test of this proposed model was performed by using two complete sets of experimental results with several fuel beds and variable parameters such as moisture content or bulk density. The second aim of this article is to highlight two conditions that allow stopping a fire: the low leaf area and the high value of the moisture content. 展开更多
关键词 Surface fire spread marginal burning extinction conditions
下载PDF
Approximate Solution of D-Dimensional Klein-Gordon Equation with Hulthn-Type Potential via SUSYQM
19
作者 H.Hassanabadi S.Zarrinkamar H.Rahimov 《Communications in Theoretical Physics》 SCIE CAS CSCD 2011年第9期423-428,共6页
Approximate analytical solutions of the D-dimensional Klein-Gordon equation are obtained for the scalarand vector general Hulthen-type potential and position-dependent mass with any l by using the concept of supersymm... Approximate analytical solutions of the D-dimensional Klein-Gordon equation are obtained for the scalarand vector general Hulthen-type potential and position-dependent mass with any l by using the concept of supersymmetricquantum mechanics (SUSYQM).The problem is numerically discussed for some cases of parameters. 展开更多
关键词 Klein-Gordon equation D-dimensional space supersymmetric quantum mechanics
下载PDF
Competition between(18,18)and(18,16)Configurations in Ni2(CO)5:An Isomerization Energy Decomposition Analysis
20
作者 Zhi-ling Liu Yan Bai +5 位作者 Ya Li Jing He Qing-yang Lin Fu-qiang Zhang Hai-shun Wu Jian-feng Jia 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2021年第3期287-296,I0026-I0038,I0047,共24页
The potential energy landscape of the neutral Ni_(2)(CO)_(5) complex was re-examined.A new C_(2v) structure with double bridging carbonyls is found to compete with the previously proposed triply carbonyl-bridged D_(3h... The potential energy landscape of the neutral Ni_(2)(CO)_(5) complex was re-examined.A new C_(2v) structure with double bridging carbonyls is found to compete with the previously proposed triply carbonyl-bridged D_(3h) isomer for the global minimum of Ni_(2)(CO)_(5).Despite that the tri-bridged isomer possesses the more favored(18,18)configuration,where both metal centers satisfy the 18-electron rule,the neutral Ni_(2)(CO)_(5) complex prefers the di-bridged geometry with(18,16)configuration.The isomerization energy decomposition analysis reveals that the structural preference is a consequence of the maximization of electrostatic and orbital interactions. 展开更多
关键词 Nickel carbonyl Density functional theory 18-electron rule Isomerization energy decomposition analysis Three-center two-electron
下载PDF
上一页 1 2 3 下一页 到第
使用帮助 返回顶部