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   

Anthropogenic impact in the Maya Lowlands of Petén,Guatemala, during the last 5500 years          下载免费PDF全文

D. Battistel  M. Roman  A. Marchetti  N. M. Kehrwald  M. Radaelli  E. Balliana  G. Toscano  C. Barbante 《第四纪科学杂志》2018,33(2):166-176

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Discovery of the largest pterosaur from South America     

《Cretaceous Research》2018

A giant humerus (450 mm total length) belonging to one of the largest pterosaur recorded in South America is described. The specimen (UNCUYO-LD 350) was discovered in the Upper Cretaceous (upper Coniacian – lower Santonian) Plottier Formation of the Mendoza Province, northern Neuquén Basin, Argentina. It was found associated with a smaller pterosaur specimen represented by around thirty postcranial bones. The specimen is assigned to Tapejaroidea and show characters of both Tapejaridae and Azhdarchidae. Based on comparisions with other Azdharchidae species, a wingspan of 9.1 m is estimated for UNCUYO-LD 350, showing that giant pterosaurs were present in South America during the Upper Cretaceous.  相似文献   

Biomarker hydrogen isotope composition (δD) as proxy for Holocene hydroclimatic change and seismic activity in SW Peloponnese,Greece          下载免费PDF全文

Elin Norström  Christos Katrantsiotis  Martin Finné  Jan Risberg  Rienk H. Smittenberg  Stefan Bjursäter 《第四纪科学杂志》2018,33(5):563-574

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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&nbsp;m water depth provided 3.55&nbsp;m of fine-grained sediments (muds) from the youngest seismic unit (4&nbsp;m thick). Geochemical analysis show high values (4 to 10%) of TOC. Sediment and porewater analyses indicate a distinct sulphate&ndash;methane transition zone (SMTZ) between 60 and 80&nbsp;cm where sulphate is depleted (to <1.7&nbsp;mM) and methane increases (to >0.4&nbsp;mM). The top of the acoustic turbidity (the gas front) at 80&nbsp;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&nbsp;×&nbsp;10⁶&nbsp;m³ of organic carbon and 275&nbsp;ton of methane.  相似文献   

Structural style of the Chos Malal fold and thrust belt,Neuquén basin,Argentina: Relationship between thick- and thin-skinned tectonics     

《Journal of South American Earth Sciences》2015

The Chos Malal fold and thrust belt (FTB) is a thick-skinned mountain belt formed by Mesozoic deposits of the Neuquén Basin during the Andean orogeny. Four structural cross-sections in the entire deformed area, supported by field and subsurface data, suggest a strong link between thick and thin-skinned structures. Major Andean thrusts branching from a detachment placed 12&nbsp;km into the crust created large basement wedges, which were inserted in the cover producing minor order structures. The westernmost of these wedges is exposed forming the Cordillera del Viento, while others basement slices at depth were interpreted from seismic lines. These thick-skinned structures transferred deformation to the cover along the Auquilco Formation and contributed to create all thin-skinned structures surveyed in the Chos Malal FTB. We recognized half-graben geometries in the seismic lines, preserving their extensional configuration, which suggests that the main normal faults were not inverted. Shortenings calculated from the restoration of the four cross-sections are 16.9&nbsp;km (29.7%), 16.9&nbsp;km (29.7%), 14.7&nbsp;km (26.9%) and 14.15&nbsp;km (26.3%), which evidence a slight diminution of the contraction toward the south probably associated with the plunge of the Cordillera del Viento structure in this segment of the Chos Malal FTB.  相似文献   

Processes Leading to Second-Year Cooling of the 2010-12 La Ni(n)a Event,Diagnosed Using GODAS     

FENG Licheng  ZHANG Rong-Hua  WANG Zhanggui  CHEN Xingrong 《大气科学进展》2015,32(3)

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Effect of Stochastic MJO Forcing on ENSO Predictability   总被引：2，自引：0，他引：2  

PENG Yuehu  DUAN Wansuo  XIANG Jie 《大气科学进展》2011,28(6):1279-1290

Within the frame of the Zebiak-Cane model,the impact of the uncertainties of the Madden-Julian Oscillation(MJO) on ENSO predictability was studied using a parameterized stochastic representation of intraseasonal forcing.The results show that the uncertainties of MJO have little effect on the maximum prediction error for ENSO events caused by conditional nonlinear optimal perturbation(CNOP);compared to CNOP-type initial error,the model error caused by the uncertainties of MJO led to a smaller prediction uncertainty of ENSO,and its influence over the ENSO predictability was not significant.This result suggests that the initial error might be the main error source that produces uncertainty in ENSO prediction,which could provide a theoretical foundation for the data assimilation of the ENSO forecast.  相似文献   

IMPACT OF LATENT HEAT FLUX ON INDIAN SUMMER MONSOON DURING EL NI(N)O/LA NI(N)A YEARS     

M. V. Subrahmanyam  WANG Dong-xiao 《热带气象学报(英文版)》2011,17(4)

El Ni(n)o or La Ni(n)a manifest in December over the Pacific and will serve as an index for the forecasting of subsequent Indian summer monsoon,which occurs from June to mid-September.In the present article,an attempt is made to study the variation of latent heat flux (LHF) over the north Indian Ocean during strong El Ni(n)o and strong La Ni(n)a and relate it with Indian monsoon rainfall.During strong El Ni(n)o the LHF intensity is higher and associated with higher wind speed and lower cloud amount.During E1 Ni(n)o all India rainfall is having an inverse relation with LHF.Seasonal rainfall is higher in YY+1 (subsequent year) than YY (year of occurrence).However there is a lag in rainfall during El Ni(n)o YY+1 from June to July when compared with the monthly rainfall.  相似文献