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Travel-Limiting Disabilities in the United States: Why Accessibility Matters?
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作者 Oluwaseun Ibukun Bhuiyan Alam 《Journal of Transportation Technologies》 2024年第3期336-357,共22页
This study evaluates the distribution of travel-limiting disabilities across genders and geographic locations in the United States. This study aims to describe and compare the socioeconomic and demographic variables o... This study evaluates the distribution of travel-limiting disabilities across genders and geographic locations in the United States. This study aims to describe and compare the socioeconomic and demographic variables of the people with and without travel-limiting disabilities across geographic locations and gender. The study further evaluates the trip purpose and impact of Covid-19 fourth wave pandemic on the use of public transit and travel to physical workplace for the people with and without travel-limiting disabilities across gender and geographic locations. The study uses the 2022 weighted National Household Travel Survey dataset and employs descriptive statistics. Results reaffirm the findings from previous literature that there are more people with travel-limiting disabilities in urban areas and among women. Over 50 percent of people aged 65 and above have a form of travel-limiting disabilities. The most trip for people with travel-limiting disabilities is made for shopping and medical purposes. Across all categories, rural areas, urban areas, male and female for the people without travel-limiting disabilities, COVID-19 fourth wave did not change the pattern of trips made to physical workplace as pre-COVID-19 era. This pattern is also observable for the people with travel-limiting disabilities in rural and urban areas. Females with travel-limiting disabilities reported making less trips to physical workplaces while male reported doing the same as before COVID-19 era. The study concludes that the quantification of travel-limiting disabilities across geographic location and gender is vital in disability study and could drive policy implementation for improved accessibility for the vulnerable population. 展开更多
关键词 National Household Travel Survey United states Travel-Limiting Disabilities Descriptive Statistics Covid-19 Disability study
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Survivors of COVID-19 exhibit altered amplitudes of low frequency fluctuation in the brain: a resting-state functional magnetic resonance imaging study at 1-year follow-up 被引量:1
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作者 Yan-Yao Du Wei Zhao +13 位作者 Xiang-Lin Zhou Mu Zeng Dan-Hui Yang Xing-Zhi Xie Si-Hong Huang Ying-Jia Jiang Wen-Han Yang Hu Guo Hui Sun Ji-Yang Liu Ping Liu Zhi-Guo Zhou Hong Luo Jun Liu 《Neural Regeneration Research》 SCIE CAS CSCD 2022年第7期1576-1581,共6页
Although some short-term follow-up studies have found that individuals recovering from coronavirus disease 2019(COVID-19)exhibit anxiety,depression,and altered brain microstructure,their long-term physical problems,ne... Although some short-term follow-up studies have found that individuals recovering from coronavirus disease 2019(COVID-19)exhibit anxiety,depression,and altered brain microstructure,their long-term physical problems,neuropsychiatric sequelae,and changes in brain function remain unknown.This observational cohort study collected 1-year follow-up data from 22 patients who had been hospitalized with COVID-19(8 males and 11 females,aged 54.2±8.7 years).Fatigue and myalgia were persistent symptoms at the 1-year follow-up.The resting state functional magnetic resonance imaging revealed that compared with 29 healthy controls(7 males and 18 females,aged 50.5±11.6 years),COVID-19 survivors had greatly increased amplitude of low-frequency fluctuation(ALFF)values in the left precentral gyrus,middle frontal gyrus,inferior frontal gyrus of operculum,inferior frontal gyrus of triangle,insula,hippocampus,parahippocampal gyrus,fusiform gyrus,postcentral gyrus,inferior parietal angular gyrus,supramarginal gyrus,angular gyrus,thalamus,middle temporal gyrus,inferior temporal gyrus,caudate,and putamen.ALFF values in the left caudate of the COVID-19 survivors were positively correlated with their Athens Insomnia Scale scores,and those in the left precentral gyrus were positively correlated with neutrophil count during hospitalization.The long-term follow-up results suggest that the ALFF in brain regions related to mood and sleep regulation were altered in COVID-19 survivors.This can help us understand the neurobiological mechanisms of COVID-19-related neuropsychiatric sequelae.This study was approved by the Ethics Committee of the Second Xiangya Hospital of Central South University(approval No.2020 S004)on March 19,2020. 展开更多
关键词 amplitude of low-frequency fluctuation clinical study coronavirus disease 2019 FOLLOW-UP functional magnetic resonance imaging long-term physical consequences neuropsychiatric sequelae resting‐state function
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A Comparative Study for the Development of Coal-to-Liquids Industries in China, South Africa and United States
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作者 Yiming Li Changqing Li 《Green and Sustainable Chemistry》 2019年第3期85-93,共9页
Many energy consuming countries have carried out research, development, demonstration, planning and deployment of coal-to-liquids (CTL) because of its ability to replace oil imports by converting coal resources into f... Many energy consuming countries have carried out research, development, demonstration, planning and deployment of coal-to-liquids (CTL) because of its ability to replace oil imports by converting coal resources into fuel. Among them, China and South Africa successfully had their CTL technology industrialized, while the United States did not. To understand the differences in the industrial development level, a comparative study is necessary. This paper compares the history, driver and policy of CTL industry in China, South Africa and United States, collates and discloses numbers of industry details for the first time. We figure out that the motivation, top level planning and policy consistency are the key indicators of the difference on the industrial development level. Among them, the key to the success of CTL industrialization in China and South Africa is the government’s strong and stable determination to improve energy security, which provides a stable top-level planning and robust policy support. The failure of CTL in United States is caused by the shift of policy attention after its energy security situation improved. 展开更多
关键词 Coal-to-Liquids Comparative study China UNITED stateS SOUTH AFRICA
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AB INITIO STUDY OF LOW-LYING ELECTRONIC STATES OF THE AsH_2 RADICAL
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作者 Zheng Li CAI Department of Chemistry,East China Instit of Technology,Nanjing 210014 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第3期239-242,共4页
The equilibrium geometries,excitation energies,force constants and vibrational frequencies for the low-ly- ing electronic states X ~2B_1,~2A_1,~2B_2 and ~2A_2 of the AsH_2 radical have been calculated at the MRSDCI le... The equilibrium geometries,excitation energies,force constants and vibrational frequencies for the low-ly- ing electronic states X ~2B_1,~2A_1,~2B_2 and ~2A_2 of the AsH_2 radical have been calculated at the MRSDCI level with a 3-21G~* basis set.Our calculated geometries,excitation enegies and vibional frequencies for the X ~2B_1 and ~2A_1 states are in good agreement with available experimental data.The electronic transition dipole mo- ments,oscillator strengths for the ~2A_1→X ~2B_1 and ~2A_2→X ~2B_1 transitions,radiative lifetimes for the ~2A_1 and ~2A_2 states are calculated based on the MRSDC^1 wavefunctions,predicting results in reasonable agreement with available experiment. 展开更多
关键词 As BI AI NATURE AB inITIO study of LOW-LYinG ELECTRONIC stateS of the AsH2 RADICAL
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A SCF-SOCI STUDY ON THE LOW-LYING STATES OF H_3^+
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作者 Jie YANG Guo Sen YAN An Min TIAN 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第1期93-94,共2页
The ground state and three low-lying states of the H_3^+ are determined by SOCI(Second Order Configuration Interaction) calculations. The results indicate that the ~3Σ_u^+ state of H_3^+ 3 is a bound state, but ~1A_1... The ground state and three low-lying states of the H_3^+ are determined by SOCI(Second Order Configuration Interaction) calculations. The results indicate that the ~3Σ_u^+ state of H_3^+ 3 is a bound state, but ~1A_1 and ~3A_1 states are not stable, each of them will dissociate into H_2^+ and H atom. The SOCI energy -1.1144065au at an equidistant nuclear separation of 1.296A is in good agreement with the lowest value reported so far. 展开更多
关键词 SCF A SCF-SOCI study ON the LOW-LYinG stateS of H3
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The state of the Mind in a Revolutionary state of the State
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作者 Nditsheni Emmanuel Tshikwatamba 《Sociology Study》 2014年第1期69-84,共16页
The article epitomises its foundations by providing definitional and explanative dichotomy among the State, Nation, and Nation State. It affords a depiction of the centrality of the mind, the interface of the body and... The article epitomises its foundations by providing definitional and explanative dichotomy among the State, Nation, and Nation State. It affords a depiction of the centrality of the mind, the interface of the body and mind in behavioural manifestations. It furthermore acknowledges that nothing occurs in a vacuum but in the context of the fullness of the mind. The visible manifestations of human behaviour are contended to be informed by the noiselessness invisible aspects of the mind. The same noiseless mind that informs the behavioural visibility that becomes somewhat active and busier in its conspicuousness. The dual existence of things and events in a revolutionary context that transcends to other behavioural undertones is discoursed. In the context application of the revolutionary mapping, the mind is presented as a culprit revolutionarist that wages revolutions without fear of external threats through arrests, danger, pain, terror, dread, apprehension, detentions, and any other similar means including death. The article settles that the mind is the determinant factor of human behaviours and it therefore defines the state of the State in any revolutionary circumstance. It denotes a functional separatism of the mind from the brain which is an organ of the body thereby equally accepting that the brain functionalises the mind. The equal essential role of the mind in post revolution construction to establish and promote an acceptable system of government that responds to socio-economic factors is detailed herein the manuscript. A deliberate attempt is made not to be suggestive and prescriptive on the shape and form of such a post revolution system of government. 展开更多
关键词 Revolutionary mind DUALISM state(s) CONSTRUCTS
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Study on the Design of Conservation-minded Gardens
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作者 REN Jingjing KONG Lingyu +1 位作者 YU Jia CHEN Zhanchuan 《Journal of Landscape Research》 2012年第9期35-36,共2页
Based on the ancient Chinese doctrine of "less is gain,more is confusion",and Ludwig Mies van der Rohe's architectural concept "less is more",connotations of "less is more" in the con... Based on the ancient Chinese doctrine of "less is gain,more is confusion",and Ludwig Mies van der Rohe's architectural concept "less is more",connotations of "less is more" in the conservation-minded gardens were analyzed from the perspective of design and culture.Taking Tanghe Park in Qinhuangdao City,Landschaftspark Duisburg-Nord,Lingering Garden in Suzhou and Jiangyangpan Eco-park for example,this study stressed the creation of maximum urbanization effects and the most vivid urban landscapes via the least materials,investment,design and human interventions,and analyzed the application of "less is more" in conservationminded garden design. 展开更多
关键词 LESS is MORE Conservation-minded GARDEN study CASE Application
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Farmers' State of Mind and the Policy Thinking for the Cotton Production in Shandong Province
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作者 Ruobing HAN Lin ZHOU Jilian HU 《Asian Agricultural Research》 2013年第10期138-142,共5页
Affected by the meteorological disasters and market fluctuations,the growing area,yield and quality of cotton in Shandong Province have been reduced to varying degrees in recent years.The majority of farmers are regar... Affected by the meteorological disasters and market fluctuations,the growing area,yield and quality of cotton in Shandong Province have been reduced to varying degrees in recent years.The majority of farmers are regarded as the main body of agricultural production,whose enthusiasm for growing cotton and confidence in the cotton market play a significant role in stabilizing the growing area and improving the quality of cotton.We randomly select the cotton farmers for in-depth interview,to understand the situation of cotton cultivation and their state of mind for growing,aimed at deriving the factors influencing farmers'willingness to grow cotton.In the future,it is necessary to make the best use of the advantages and bypass the disadvantages,and in a timely manner curb the decline of cotton cultivation in the process of guiding and encouraging the cotton cultivation,in order to solve the problems of low farmers'willingness to grow cotton and sluggish cotton industry from the root. 展开更多
关键词 SHANDONG PROVinCE COTTON production Farmers’ state
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China's study on coal mining beneath surface buildings——state-of-the-art and developing trend
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作者 TENG Yong-hai~(1, 2), WANG Jin-zhuang~1 (1. China Institute of Mining Technology Beijing Campus, Beijing 100083, China 2. China Coal Research Institute Tangshan Branch, Tangshan 063012, China) 《中国有色金属学会会刊:英文版》 CSCD 2005年第S1期13-16,共4页
Extensive coal deposits are sterilized beneath surface buildings in China. The paper elaborates on the present status of the study on mining beneath surface buildings from several aspects involving the techniques for ... Extensive coal deposits are sterilized beneath surface buildings in China. The paper elaborates on the present status of the study on mining beneath surface buildings from several aspects involving the techniques for reducing ground subsidence and deformation and the measures for protecting buildings. Following that, it is pointed out that, in the future, more efforts should be directed forwards the following aspects: the laws governing the ground movement; the techniques for constructing anti-deformation buildings; coal-bed gasification and protection of buildings; grouting of the overlying strata with bed separation phenomena; and the method for evaluating the stability of the ground above a worked-out area. 展开更多
关键词 MininG BENEATH buildings state-of-the-ART of study developing TREND
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A qualitative study on the experiences of pregnant women undertaking mindfulness training
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作者 Xiao-Fei Li Zhong He +5 位作者 Yin Sun Su-Han Zhang Na-Na Liu Ya-Xin Wang Hang Lin Liang-Kun Ma 《Psychosomatic Medicine Research》 2022年第3期9-13,共5页
Purposes:This study uses the method of qualitative research to conduct in-depth interviews with pregnant women,explore the experiences of pregnant women undertake mindfulness training.Methods:The study adopts a qualit... Purposes:This study uses the method of qualitative research to conduct in-depth interviews with pregnant women,explore the experiences of pregnant women undertake mindfulness training.Methods:The study adopts a qualitative,in-depth interview method.Semi-structured interviews were conducted with 10 pregnant women.Data from semi-structured interviews were analysed by qualitative content analysis using QSR NVivo 12 software.Results:Four themes were generated to show how pregnant women experiences of the mindfulness training.They are Emotion management,Benefits of mindfulness training for childbirth,Challenges and influencing factors of mindfulness training and Different attitudes toward mindfulness training.Conclusions:Pregnant women undertaking mindfulness training can effectively reduce stress and has positive effects on work and life.Mindfulness training can be used as a way to improve the mental health of pregnant women. 展开更多
关键词 mindFULNESS Qualitative study Pregnant women
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Racial differences in the anatomical distribution of colorectal cancer:a study of differences between American and Chinese patients 被引量:30
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作者 San-HuaQing Kai-YunRao +1 位作者 Hui-YongJiang StevenD.Wexner 《World Journal of Gastroenterology》 SCIE CAS CSCD 2003年第4期721-725,共5页
AIM: To compare the racial differences of anatomical distribution of colorectal cancer (CRC) and determine the association of age, gender and time with anatomical distribution between patients from America (white) and... AIM: To compare the racial differences of anatomical distribution of colorectal cancer (CRC) and determine the association of age, gender and time with anatomical distribution between patients from America (white) and China (oriental).METHODS: Data was collected from 690 consecutive patients in Cleveland Clinic Florida, U.S.A. and 870consecutive patients in Nan Fang Hospital affiliated to the First Military Medical University, China over the past 11years from 1990 to 2000. All patients had colorectal adenocarcinoma diagnosed by histology and underwent surgery.RESULTS: The anatomical subsite distribution of tumor,age and gender were significantly different between white and oriental patients. Lesions in the proximal colon (P<0.001) were found in 36.3 % of white vs 26.0 % of oriental patients and cancers located in the distal colon and rectum in 63.7 % of white and 74 % of oriental patients (P<0.001). There was a trend towards the redistribution from distal colon and rectum to proximal colon in white males over time, especially in older patients (>80 years).No significant change of anatomical distribution occurred in white women and Oriental patients. The mean age at diagnosis was 69.0 years in white patients and 48.3 years in Oriental patients (P<0.001).CONCLUSION: This is the first study comparing the anatomical distribution of colorectal cancers in whites and Chinese patients. White Americans have a higher risk of proximal CRC and this risk increased with time. The proportion of white males with CRC also increased with time.Chinese patients were more likely to have distal CRC and developed the disease at a significantly earlier age than white patients. These findings have enhanced our understanding of the disease process of colorectal cancer in these two races. 展开更多
关键词 Asian Continental Ancestry Group European Continental Ancestry Group ADENOCARCinOMA ADULT Age Distribution Aged Aged 80 and over China Colonic Neoplasms Colorectal Neoplasms Comparative study Female Humans Male Middle Aged Rectal Neoplasms Retrospective Studies United states
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DFT study on mechanism of the classical Biginelli reaction 被引量:2
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作者 Jin Guang Ma Ji Ming Zhang Hai Hui Jiang Wan Yong Ma Jian Hua Zhou 《Chinese Chemical Letters》 SCIE CAS CSCD 2008年第3期375-378,共4页
The condensation of benzaldehyde, urea, and ethyl acetoacetate according to the procedure described by Biginelli was investigated at the B3LYP/6-31G(d), B3LYP/6-31 +G(d,p), and B3LYP/6-311+G(3df,2p)//B3LYP/6-3... The condensation of benzaldehyde, urea, and ethyl acetoacetate according to the procedure described by Biginelli was investigated at the B3LYP/6-31G(d), B3LYP/6-31 +G(d,p), and B3LYP/6-311+G(3df,2p)//B3LYP/6-31+G(d,p) levels to explore the reaction mechanism. According to the mechanism proposed by Kappe, structures of five intermediates were optimized and four transition states were found. The calculation results proved that the mechanism proposed by Kappe is right. 展开更多
关键词 Biginelli reaction DIHYDROPYRIMIDinES Transition state DFT study
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Challenges of agriculture and food systems issues in China and the United States 被引量:2
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作者 Gregory Veeck Ann Veeck Hongyan Yu 《Geography and Sustainability》 2020年第2期109-117,共9页
China and the United States are the two most significant nations in the contemporary global food and agricultural network.In addition,they are two of the most important innovators with respect to the development of ne... China and the United States are the two most significant nations in the contemporary global food and agricultural network.In addition,they are two of the most important innovators with respect to the development of new crop varieties,agro-technologies,farm products,markets and consumer issues,such as consumer resistance to genetically modified foods,among others.In the face of an ever-complex web of interactions,technologies and products among producers and consumers in both nations,there are far more structural similarities than differences in the food and agriculture sectors of these two nations.This essay,adopting some of the themes of the Sino-American Symposium on Future Issues Affecting Quality of Life,presents a limited but representative comparative assessment of three of the most important shared challenges impacting the agricultural sectors of China and the United States for the period from 2000 to the present including 1)environmental challenges related to agricultural water supply,2)declines in farm labor and rural population,and 3)growing food-related concerns and challenges.For both nations,excessive and unsustainable groundwater consumption has lowered water tables and limited crop production.Rural populations and farm workforces in both nations are also declining,leading to labor challenges in both nations.Finally,concerns regarding food safety are also very similar with major challenges to the farm sector associated with consumer resistance to genetically modified food crops and sanitation issues linked to lengthening supply chains.All of these issues threaten the development of sustainable agricultural production systems. 展开更多
关键词 AGRICULTURE Food safety China United states Sino-US comparative study
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An available formula of the sandy beach state induced by plunging waves
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作者 JIANG Changbo WU Zhiyuan +3 位作者 CHEN Jie DENG Bin LONG Yuannan LI Lianjie 《Acta Oceanologica Sinica》 SCIE CAS CSCD 2017年第9期91-100,共10页
Laboratory experiments are performed to explore the response rule of a sandy beach profile under plunging wave on a non-uniform sediment-bed slope. The initial beach slope of combination of 1/10 and 1/20 is exposed to... Laboratory experiments are performed to explore the response rule of a sandy beach profile under plunging wave on a non-uniform sediment-bed slope. The initial beach slope of combination of 1/10 and 1/20 is exposed to regular waves and cnoidal waves respectively. The free surface elevation, process of wave propagation, wave breaking, uprush and backwash and the change of a cross-shore beach profile are measured and recorded. The beach profile under the regular waves action exhibits two parts: a sandbar profile and a beach berm profile, and only one typical profile transformation under the cnoidal waves action is obtained, which is the beach berm profile. In the laboratory experiments, it is found that the beach states under wave action related to the previous factors. In addition, they are related to the characteristic of breaking waves such as the breaking intensity of the plunging wave. A concept about the characteristic angle of the plunging wave has been put forward through the observation and analysis of the phenomenon of the laboratory experiment. A qualitative analysis about the sediment transport carrying by currents generated from the plunging wave and the state of beach profile under the wave action has been done. The quantitative analysis about the relationship between the characteristic angle and Irribarren number has been done. An available formula of equilibrium states for the sandy beach induced by the plunging wave has been established based on the relationship between Irribarren number and the beach profile. By fitting these experimental results and others' experimental results to three lines, the three fitting coefficients can be calculated in their formula respectively. The recommended empirical formulas can divide three states of a beach morphology profile obviously, which include a depositive beach, an erosive beach and an intermediate beach. 展开更多
关键词 formula of beach state plunging wave experimental study regular wave cnoidal wave
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Clinical Study on Holographic Medical instruments of Hand Viscera-State in Treating Acute Abdominal Disease of Gynecology
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作者 Huang Banghong Guo Shuping et al.(Anyi People’s Hospital Nanchang Jiangxi 330500) 《中国针灸》 CAS CSCD 北大核心 1995年第S2期313-313,共1页
ClinicalStudyonHolographicMedicalinstrumentsofHandViscera--StateinTreatingAcuteAbdominalDiseaseofGynecology¥... ClinicalStudyonHolographicMedicalinstrumentsofHandViscera--StateinTreatingAcuteAbdominalDiseaseofGynecology¥HuangBanghong;Guo... 展开更多
关键词 inSTRUMENTS ACUTE CLinICAL Disease GYNECOLOGY HAND HOLOGRAPHIC Medical state study
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Study of Decoherence of Entangled States Made up of Two Basic States in a Linear Chain of Three Qubits
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作者 Gustavo López Velázquez Gustavo Montes Cabrera 《Journal of Modern Physics》 2015年第11期1701-1710,共10页
Using Lindblad approach to study decoherence of quantum systems, we study the decoherence and decay of entangled states, formed by two basic states of a chain of thee qubits. We look on these states for a possible reg... Using Lindblad approach to study decoherence of quantum systems, we study the decoherence and decay of entangled states, formed by two basic states of a chain of thee qubits. We look on these states for a possible regular dependence on their decay as a function of their energy separation between the basic states under different types of environments. We didn’t find regular or significant dependence on this energy separation for the type of environment considered. 展开更多
关键词 study of DECOHERENCE of ENTANGLED stateS Made up of Two Basic stateS in a Linear CHAin of THREE QUBITS DECOHERENCE ENTANGLED stateS THREE Quits Linear CHAin
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A POST-SCF STUDY ON THE EXCITED STATES OF MgH_2
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作者 Jie YANG Guo Sen YAN An Min TIAN 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第2期171-174,共4页
The calculations on the ground state and two excited states3B2,BIB2 of MgH2 system are carried out by using (Second Order Configuration Interaction)method.For each state,the electronic structure and related propertie... The calculations on the ground state and two excited states3B2,BIB2 of MgH2 system are carried out by using (Second Order Configuration Interaction)method.For each state,the electronic structure and related properties are investigated,The vibration and localization analyses are also performed.The reasonable explanations of bending geometries for the excited states are given. 展开更多
关键词 SCF A POST-SCF study ON the EXCITED stateS of MgH2 HG
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STUDIES ON SOLID STATE REACTIONS OF COORDINATION COMPOUNDS(LXⅡ)Solid state synthesis and crystal structure of the complex ICu_(0.84)Au_(0.16)(PPh_3)_2(SC(Ph)NHPh)CIJ·0.5CS_2
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作者 Shi An BAO Jian Ping LANG Xin Quan XIN Coordination Chemistry Institute,Nanjing University,Nanjing 210008Kai Bei YU Chengdu Center of Analysis and Measurement,Academica Sinica,Chengdu 610015 《Chinese Chemical Letters》 SCIE CAS CSCD 1992年第12期1027-1028,共2页
[Cu_(0.84)Au_(0.16)(PPh_3)_2(SC(Ph)NHPh)Cl]·0.5CS_2=,Mr=895.79,monoclinic,space group P2_1/a,a=17.231(3),b=14.611(2),c=18.000(3) ,β=105.56(2)°,V=4365(1) ~3, Z=4,D_c=1.37g/cm^3.,λ(MoK_α)=0.71073 ,μ=12.15c... [Cu_(0.84)Au_(0.16)(PPh_3)_2(SC(Ph)NHPh)Cl]·0.5CS_2=,Mr=895.79,monoclinic,space group P2_1/a,a=17.231(3),b=14.611(2),c=18.000(3) ,β=105.56(2)°,V=4365(1) ~3, Z=4,D_c=1.37g/cm^3.,λ(MoK_α)=0.71073 ,μ=12.15cm^(-1),F(000)=1855,R=0.052, R_W=0.045 for 3930 observed reflections with Ⅰ>1.5σ(Ⅰ).The central metal atom has a dis. torted tetrahedral geometry with bond lengths Cu-S=2.384(2) (Au-S=2.389(4)), Cu-Cl=2.481(3)(Au-Cl=2.474(1))and Cu-P=2.269(2)-2.289(2)(Au-P=2.270(4)-2.279(4)) . 展开更多
关键词 STUDIES ON SOLID state REACTIONS of COORDinATION COMPOUNDS CS Ph)NHPh)CIJ AU LX PPh3 Solid state synthesis and crystal structure of the complex ICu SC
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THEORETICAL STUDY ON THE EXCITED STATES AND STABILITIES OF B_3, B_3^- AND B_3^+
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作者 Ze Xing CAO, An Min TIAN, Guo Ming LIANG, and Guo Sen YAN Department of Chemistry, Sichuan University, Chengdu 610064 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第1期75-78,共4页
The geometries and vibrational frequencies of the ground and low-lying excited states for B_3, B_3^- and B_3^+ are determined with the energy gradient method using the polarized double-zeta(6-31G*) basis set. The stab... The geometries and vibrational frequencies of the ground and low-lying excited states for B_3, B_3^- and B_3^+ are determined with the energy gradient method using the polarized double-zeta(6-31G*) basis set. The stabilities for the states of B_3,B_3^- and B_3^+ have been investigated based on the vibrational analysis. The correlation energy obtained for each state is considered with the configuration interaction (CISD+Q) technique. B_3 and B_3^+ have stable equilateral triangle geometry, while B_3^- has stable equilateral triangle, isosceles triangle and linear geometries. The Jahn-Teller distortion for a ~3E' state of B_3^- in D_(3h) symmetry is also discussed. 展开更多
关键词 AND B3 B3 theORETICAL study ON the EXCITED stateS AND STABILITIES of B3 功山
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CAS-MCSCF Study on the Ground State of the Ditungsten Molecule(W_2)
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作者 GUO Liang LI Xue Yan TU Shu Shan DAI(Department of Chemistry, Yunnan University, Kunming. Yunnan 650091) 《Chinese Chemical Letters》 SCIE CAS CSCD 1997年第4期347-350,共4页
Complete active space multiconfiguration self-consisten-field (CAS-MCSCF)calculations are carried out on the ground stae() of W_2. The spectroscopic properties(Re=2.078A. De=4.224eV and ωe=304.3cm-1) and the poential... Complete active space multiconfiguration self-consisten-field (CAS-MCSCF)calculations are carried out on the ground stae() of W_2. The spectroscopic properties(Re=2.078A. De=4.224eV and ωe=304.3cm-1) and the poential energy curve of the state are reported. The calculations predict the W-W bond order of 5.02. 展开更多
关键词 CAS-MCSCF study on the Ground state of the Ditungsten Molecule W2
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