DFT对Rb⁺水合团簇及其相关性质的分析          下载免费PDF全文

张文倩  葛蒲  房春晖  周永全  朱发岩  刘红艳  李武 《盐湖研究》2019,27(3):81-92

运用密度泛函理论(DFT)在ωB97XD/gen (O、H元素Aug-cc-PVDZ; Rb元素Lanl2DZ)基组水平上研究了[Rb(H_2O)_n]~+(n=1～12)水合团簇的结构和光谱学性质。研究结果表明,通过分析气相和液相中的稳定能以及水合团簇可知,稳定构型出现在8配位的团簇中。第一配位层水分子数为8时形成Rb~+第一近似饱和水合层。此外,拉曼光谱显示[Rb(H_2O)_n]~+(n=1～12)水合团簇中O-H伸缩振动峰随着水分子数增加发生移动和加宽,Rb~+发生水合时,O-H对称和非对称伸缩振动发生红移,随着水合数的增多,频率蓝移。此外,文中对拉曼光谱中O-H振动的频率位置结合团簇结构进行了说明。  相似文献   

A Long Way to Go: Collective Paths to Racial Justice in Geography     

Caroline Faria  Bisola Falola  Jane Henderson  Rebecca Maria Torres 《The Professional geographer》2019,71(2):364-376

Despite decades of recognition and worry about diversity, our discipline remains persistently white. That is, it is dominated by white bodies and it continues to conform to norms, practices, and ideologies of whiteness. This is a loss. At best, it limits the possibilities and impact of our work as geographers. At worst, it perpetuates harmful exclusions in our discipline: its working environments, its institutions, and its knowledge production. This remains deeply concerning for many geographers, and there has been important research, commentary, and institutional activity over the years. Yet, research shows us that little meaningful progress has been made. We know that mentoring is one vital part of the journey toward change. As such, we reflect here on our experience developing a research collective built on a transformative mentoring practice. We outline the key challenges, strategies, and tentative successes of the collective in supporting women of color undergraduate, graduate, and faculty geographers, arguing that such feminist formations are a vital part of the path to intellectual racial justice in our field. Key Words: diversity, feminist geography, higher education, mentoring, race.  相似文献   

U-Pb Age and Hf Isotope Study of Detrital Zircons from the Wanzi Supracrustals： Constraints on the Tectonic Setting and Evolution of the Fuping Complex, Trans-North China Orogen   总被引：1，自引：0，他引：1  

Xiaoping XIA Min SUN Guochun ZHAO WU Fuyuan XU Ping Jian ZHANG Yanhong HE ZHANG Jiheng 《《地质学报》英文版》2006,80(6):844-863

Located in the middle segment of the Trans-North China Orogen, the Fuping Complex is considered as a critical area in understanding the evolution history of the North China Craton （NCC）. The complex is composed of various high-grade and multiply deformed rocks, including gray gneiss, basic granulite, amphibolite, fine-grained gneiss and marble, metamorphosed to upper amphibolite or granulite facies. It can be divided into four rock units： the Fuping TTG gneisses, Longquanguan augen gneisses, Wanzi supracrustals, and Nanying granitic gneisses. U-Pb age and Hf isotope compositions of about 200 detrital zircons from the Wanzi supracrustals of the Fuping Complex have been analyzed. The data on metamorphic zircon rims give ages of 1.82-1.84 Ga, corresponding to the final amalgamation event of the NCC, whereas the data for igneous zircon cores yield two age populations at -2.10 and -2.51 Ga, with some inherited ages scattering between 2.5 and 2.9 Ga. These results suggest that the Wanzi supracrustals were derived from the Fuping TTG gneisses （-2.5 Ga） and the Nanying granitic gneisses （2.0-2.1 Ga） and deposited between 2.10 and 1.84 Ga. All zircons with -2.51 Ga age have positive initial εHf values from ＋1.4 to ＋10.9, suggesting an important crustal growth event at -2.5 Ga through the addition of juvenile materials from the mantle. The Hf isotope data for the detrital zircons further imply that the 2.8 Ga rocks are important components in the lower crust, which is consistent with a suggestion from Nd isotope data for the Eastern Block. The zircons of 2.10 Ga population have initial εHf values of-4.9 to ＋6.1, interpreted as mixing of crustal re-melt with minor juvenile material contribution at 2.1 Ga. These results are distinct from that for the Western Block, supporting that the Fuping Complex was emplaced in a tectonic active environment at the western margin of the Eastern Block.  相似文献   

应用爆破检验KM-n程序定位精度的研究   总被引：1，自引：0，他引：1  

李桂华  刘国华  王力平  何家斌  卫爱民  颜其中  叶建庆 《地震研究》2006,29(4):355-359

采用云南区域数据地震遥测台网近震定位程序“KM—n”,分别测定了2005年1月11～27日进行的“04昆深工程”中18个点位的人工地震参数,以此检验台网近震定位程序“KM—n”的可靠性及台网的地震监测能力。洲定结果表明,对于记录波形初动清晰的人工地震,如果台站位置分布较好,参与定位的台站选择适当,用“KM—n”定位,结果相当准确可靠,误差在2km范围内。  相似文献   

The Distribution of Chadian and earliest Arundian strata in North Wales: Implications for Dinantian (Carboniferous) lithostratigraphy and palaeogeography     

J. R. Davies  N. J. Riley  D. Wilson 《Geological Journal》1989,24(1):31-47

The late Chadian Foel Formation, previously thought to be confined to the Dyserth area of North Wales, forms a poorly exposed but persistent basal unit to much of the Dinantian crop east of the Clwydian Range, necessitating a revision of the local lithostratigraphy. The formation comprises a peritidal heterolith which, together with the lowest few metres of the overlying Llanarmon Limestone, yields microfossil assemblages diagnostic of the Eoparastaffella Cf4α Subzone. Succeeding strata, containing the lowest archaediscid foraminifera, provide the first record of Cf4β assemblages from North Wales and establish an early Arundian age for these beds. The Foel Formation was deposited as an aggradational sequence on the northern flank of St. George's Land during a pulsed transgression which began in late Chadian times. The widely recognized basal Arundian transgression is represented by the contact between the Foel Formation and overlying platform carbonates. The latter overlap the Foel Formation in the southernmost part of the Clwydian crop demonstrating, for the first time, southwards onlap on the northern side of the Bala–Bryneglwys Fault System.  相似文献   

Characterisation and preliminary quantification of the methane reservoir in a coastal sedimentary source: San Simón Bay,Ría de Vigo,NW Spain     

S. García-Gil  E. de Blas  N. Martínez-Carreño  J. Iglesias  R. Rial-Otero  J. Simal-Gándara  A.G. Judd 《Estuarine, Coastal and Shelf Science》2011

Ría de Vigo is a river valley flooded by the sea, with a bay (San Simón Bay) at its innermost part. The accumulation of Holocene sediment in San Simón Bay has been studied by the integration of 1) large scale high resolution seismic data, and 2) detailed geochemical analysis of a gravity core. In San Simón Bay the majority of the seismic records are obscured by acoustic turbidity which represents gassy sediments, but on records from Rande Strait it is possible to distinguish two Quaternary seismic sequences; an Upper Pleistocene sequence (SQ1) and a Holocene sequence (SQ2). Only SQ2 is recognized in San Simón Bay where it is comprised of two seismic units; the upper unit represents the HST sediment, i.e. the period of highest sea level. A gravity core taken within the gassy zone at 10 m water depth provided 3.55 m of fine-grained sediments (muds) from the youngest seismic unit (4 m thick). Geochemical analysis show high values (4 to 10%) of TOC. Sediment and porewater analyses indicate a distinct sulphate–methane transition zone (SMTZ) between 60 and 80 cm where sulphate is depleted (to <1.7 mM) and methane increases (to >0.4 mM). The top of the acoustic turbidity (the gas front) at 80 cm corresponds to the lower limit of the SMTZ. The methane cannot have been derived from the underlying metamorphic and granitic rocks, but was probably derived by microbial degradation of the organic matter in the Holocene sediments. We estimate that the sediments of the Bay contain approximately 1.8 × 10⁶ m³ of organic carbon and 275 ton of methane.  相似文献   

Understanding marine ecosystem based management: A literature review     

Richard Curtin  Raúl Prellezo 《Marine Policy》2010

Ecosystem based management takes into account the interconnectedness and interdependent nature of ecosystem components and emphasizes the importance of ecosystem structures and functions which provide a range of services. The concept has now been adopted by many international agreements and national governments and is in the process of being implemented. This paper seeks to review the literature and to analyze the understanding of the subject. The term is defined and its implementation in fisheries and for all marine uses is analyzed. It has been concluded that to understand marine ecosystem based management one must consider ecosystems as complex adaptive systems which can show changes at higher levels from actions and processes occurring at lower levels. Recognizing that humans are part of these complex adaptive systems is vital in that their actions along with other processes can lead to transformations in ecosystem functioning. This recognition is also important to show how society can sustainably exploit these resources and that the inclusion of all stakeholders in the management process is necessary to legitimize the process. The uses of the precautionary principle along with adaptive management are seen to be useful tools in implementing these insights into the management of natural resources. Finally, the need for reducing consumption of fish is considered.  相似文献   

Aequorea taiwanensis n. sp. (Hydrozoa, Leptomedusae) and mtCOI sequence analysis for the genus Aequorea     

ZHENG Lianming  LIN Yuanshao  LI Shaojing  CAO Wenqing  XU Zhenzu  HUANG Jiaqi 《海洋学报(英文版)》2009,28(1):109-115

Aequorea taiwanensis, a new hydrozoan species from the Taiwan Strait was described using morphological and molecular characteristics. Both morphological and mitochondrial cytochrome oxidase subunit I (mtCOI) data supported A. taiwanensis n. sp. as a valid species. Sequence divergence and genetic distance of A. taiwanensis n. sp., A. papillata and A. conica were analysed based on the mtCOI gene sequences. The mtCOI sequences from these three species of the genus Aequorea showed high variation frequency, with sequence divergences ranging from 9.10% to 11.9%, and pairwise genetic distances ranging from 0.097 to 0.130. MtCOI sequence analysis provided diagnostic molecular systematic characteristics for accurate identification and discrimination of the species of Aequorea or their populations, and will be used to resolve evolutionary relationships among them.It was suggested that 10%—20% pairwise mtCOI sequence differences indicated the specieslevel divergence among congeneric species in the Hydromedusae.  相似文献   

Perturbed solution of sea-air oscillator for the E1 Ni(n)o/La Ni(n)a-Southern Oscillation mechanism     

ZHOU Xianchun  LIN Yihua  WANG Hui  MO Jiaqi 《海洋学报(英文版)》2009,28(3)

A class of coupled system of the E1 Ni(n)o/La Ni(n)a-Southern Oscillation (ENSO) mechanism is studied. Using the perturbed theory, the asymptotic expansions of the solution for ENSO model are obtained and the asymptotic behavior of solution for corresponding problem is considered.  相似文献   

Structural and metamorphic evolution of the Moornambool Metamorphic Complex,western Lachlan Fold Belt,southeastern Australia     

G. Phillips  J. McL. Miller  C. J. L. Wilson 《Australian Journal of Earth Sciences》2013,60(5):891-913

The wedge‐shaped Moornambool Metamorphic Complex is bounded by the Coongee Fault to the east and the Moyston Fault to the west. This complex was juxtaposed between stable Delamerian crust to the west and the eastward migrating deformation that occurred in the western Lachlan Fold Belt during the Ordovician and Silurian. The complex comprises Cambrian turbidites and mafic volcanics and is subdivided into a lower greenschist eastern zone and a higher grade amphibolite facies western zone, with sub‐greenschist rocks occurring on either side of the complex. The boundary between the two zones is defined by steeply dipping L‐S tectonites of the Mt Ararat ductile high‐strain zone. Deformation reflects marked structural thickening that produced garnet‐bearing amphibolites followed by exhumation via ductile shearing and brittle faulting. Pressure‐temperature estimates on garnet‐bearing amphibolites in the western zone suggest metamorphic pressures of ～0.7–0.8 GPa and temperatures of ～540–590°C. Metamorphic grade variations suggest that between 15 and 20 km of vertical offset occurs across the east‐dipping Moyston Fault. Bounding fault structures show evidence for early ductile deformation followed by later brittle deformation/reactivation. Ductile deformation within the complex is initially marked by early bedding‐parallel cleavages. Later deformation produced tight to isoclinal D₂ folds and steeply dipping ductile high‐strain zones. The S₂ foliation is the dominant fabric in the complex and is shallowly west‐dipping to flat‐lying in the western zone and steeply west‐dipping in the eastern zone. Peak metamorphism is pre‐ to syn‐D₂. Later ductile deformation reoriented the S₂ foliation, produced S₃ crenulation cleavages across both zones and localised S₄ fabrics. The transition to brittle deformation is defined by the development of east‐ and west‐dipping reverse faults that produce a neutral vergence and not the predominant east‐vergent transport observed throughout the rest of the western Lachlan Fold Belt. Later north‐dipping thrusts overprint these fault structures. The majority of fault transport along ductile and brittle structures occurred prior to the intrusion of the Early Devonian Ararat Granodiorite. Late west‐ and east‐dipping faults represent the final stages of major brittle deformation: these are post plutonism.  相似文献