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[ASAP] Variational Density Fitting with a Krylov Subspace Method

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01212




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[ASAP] Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01294




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[ASAP] Calculation of Anharmonic IR and Raman Intensities for Periodic Systems from DFT Calculations: Implementation and Validation

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01061




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[ASAP] Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01193




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[ASAP] A Two-Ended Data-Driven Accelerated Sampling Method for Exploring the Transition Pathways between Two Known States of Protein

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01184




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Atomic fluorescence spectrometry for ultrasensitive determination of bismuth based on hydride generation – the role of excitation source, interference filter and flame atomizers

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00043D, Paper
Barbora Štádlerová, Marta Kolrosová, Jiří Dědina, Stanislav Musil
A method of highly sensitive bismuth determination by hydride generation coupled with in-house assembled non-dispersive atomic fluorescence spectrometry was developed.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Ultra-sensitive determination of antimony valence by solution cathode glow discharge optical emission spectrometry coupled with hydride generation

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00009D, Paper
Mingyue Zhao, Xiaoxu Peng, Bingcheng Yang, Zheng Wang
An ultra-sensitive solution cathode glow discharge-optical emission spectrometry (SCGD-OES) method coupled with hydride generation (HG) for the determination of antimony valence is described.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Large energy-storage density in transition-metal oxide modified NaNbO3–Bi(Mg0.5Ti0.5)O3 lead-free ceramics through regulating the antiferroelectric phase structure

J. Mater. Chem. A, 2020, 8,8352-8359
DOI: 10.1039/D0TA02285C, Paper
Ao Tian, Ruzhong Zuo, He Qi, Min Shi
The combination of AFE phase structural regulation and breakdown strength optimization through chemical modification leads to a large energy-storage density of Wrec ∼ 5.57 J cm−3 in NN–BMT lead-free bulk ceramics.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Perovskite-Sensitized β-Ga2O3 Nanorod Arrays for Highly Selective and Sensitive NO2 Detection at High Temperature

J. Mater. Chem. A, 2020, Accepted Manuscript
DOI: 10.1039/D0TA02691C, Paper
Bo Zhang, Hui-Jan Lin, Haiyong Gao, Xingxu Lu, Chang-Yong Nam, Pu-Xian Gao
Amongst various gaseous pollutants, NO2 is one of the major exhausts originating from fossil fuel and gas combustions in vehicle engines and power plants at high temperature. Under such scenario,...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Understanding the structural phase transitions in lithium vanadium phosphate cathode for lithium-ion batteries

J. Mater. Chem. A, 2020, Accepted Manuscript
DOI: 10.1039/C9TA12435G, Paper
Woong Oh, Hyunyoung Park, Bong-Soo Jin, Ranjith Thangavel, Won-Sub Yoon
Developing high-energy lithium-ion batteries with long stability is critical for realizing sustainable energy applications; however, it remains highly challenging. Exploring multi-redox based electrode materials can help to achieve high capacity...
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] A One-Pot Iodo-Cyclization/Transition Metal-Catalyzed Cross-Coupling Sequence: Synthesis of Substituted Oxazolidin-2-ones from <italic toggle="yes">N</italic>-Boc-allylamines

Organic Letters
DOI: 10.1021/acs.orglett.0c01114




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Spin spirals and charge textures in transition-metal-oxide heterostructures / Alex Frano

Online Resource




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Quantitative Understanding of the Ultra-Sensitive and Selective Detection of Dopamine using Graphene Oxide/WS2 Quantum Dot Hybrid

J. Mater. Chem. C, 2020, Accepted Manuscript
DOI: 10.1039/D0TC01074J, Paper
Ruma Das, Abhilasha Bora, Pravat K. Giri
Herein, we report on the ultra-high sensitive and selective detection of dopamine (DA) at pico-molar level by a low cost sensing platform based on graphene oxide (GO) sheets anchored with...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Achieving high energy density and discharge efficiency in multi-layered PVDF–PMMA nanocomposites composed of 0D BaTiO3 and 1D NaNbO3@SiO2

J. Mater. Chem. C, 2020, Advance Article
DOI: 10.1039/D0TC00838A, Paper
Qinzhao Sun, Jiping Wang, Lixue Zhang, Pu Mao, Shujuan Liu, Liqiang He, Fang Kang, Rong Xue
The choice of dielectric fillers and structure design play an important role in improving the energy storage properties of polymer-based nanocomposites.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Synergetic magnetic and luminescence switching via solid state phase transitions of the dysprosium–dianthracene complex

J. Mater. Chem. C, 2020, Advance Article
DOI: 10.1039/D0TC01111H, Paper
Jing-Cui Liu, Xin-Da Huang, Qian Zou, Song-Song Bao, Xi-Zhang Wang, Jing-Yuan Ma, Li-Min Zheng
A dinuclear complex Dy2L2(depma2)Cl2 containing a pre-photodimerized dianthracene phosphonate ligand (depma2) undergoes consecutive two-step structural transformation upon heating depma2, accompanied by a synergetic switching of the photoluminescence and magnetic dynamics.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Loss-favored ultrasensitive refractive index sensor based on directional scattering from a single all-dielectric nanosphere

J. Mater. Chem. C, 2020, Advance Article
DOI: 10.1039/D0TC00899K, Communication
Churong Ma, Ying Liu, Feng Zhao, Feng Xu, Jiahao Yan, Xiangping Li, Bai-Ou Guan, Guowei Yang, Kai Chen
An ultrasensitive refractive index sensor based on a lossy all-dielectric nanosphere.
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Reversible transition of filamentary and ferroelectric resistive switching in BaTiO3/SmNiO3 heterostructures

J. Mater. Chem. C, 2020, 8,5815-5820
DOI: 10.1039/D0TC00676A, Paper
Yan-Dong Liu, Chuan-Zhu Hu, Jin-Jin Wang, Ni Zhong, Ping-Hua Xiang, Chun-Gang Duan
We report a reversible transition between filamentary and ferroelectric resistive switching in BaTiO3/SmNiO3 heterostructures.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Muscle-inspired capacitive tactile sensors with superior sensitivity in an ultra-wide stress range

J. Mater. Chem. C, 2020, 8,5913-5922
DOI: 10.1039/D0TC00453G, Paper
Xiaoping Shen, Kangchen Nie, Li Zheng, Zhaosong Wang, Zhe Wang, Song Li, Chunde Jin, Qingfeng Sun
Tactile sensors with superior sensitivity in an ultra-wide stress range were designed from wood/poly(ionic liquid) hydrogels.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Multi-shelled upconversion nanostructures with enhanced photoluminescence intensity via successive epitaxial layer-by-layer formation (SELF) strategy for high-level anticounterfeiting

J. Mater. Chem. C, 2020, 8,5692-5703
DOI: 10.1039/D0TC00902D, Paper
Andrew J. Evangelista, Mariia Ivanchenko, Alline F. Myers, Lisa N. McAnulty, Gillian K. M. Payne, Hao Jing
Multi-shelled upconversion nanoparticles with significantly enhanced emission intensity are synthesized via successive epitaxial layer-by-layer formation (SELF) strategy and used in dual-modal anticounterfeiting and latent fingerprint detection.
The content of this RSS Feed (c) The Royal Society of Chemistry




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High efficiency,low efficiency roll-off and long lifetime fluorescent white organic light-emitting diodes based on strategic management of triplet excitons via triplet-triplet annihilation up-conversion and phosphor sensitization

J. Mater. Chem. C, 2020, Accepted Manuscript
DOI: 10.1039/D0TC01622E, Paper
Jingwen Yao, Shu Xiao, Shuai Zhang, Qian Sun, Yanfeng Dai, Xianfeng Qiao, Dezhi Yang, Jiangshan Chen, Dongge Ma
The simultaneous realization of high efficiency, low efficiency roll-off, long lifetime and stable EL spectra in fluorescent white organic light-emitting diodes (WOLEDs) is still a huge challenge. Here, we used...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Diketopyrrolopyrrole-based multifunctional ratiometric fluorescent probe and γ-glutamyltranspeptidase-triggered activatable photosensitizer for tumor therapy

J. Mater. Chem. C, 2020, Accepted Manuscript
DOI: 10.1039/D0TC01836H, Paper
Jianli Hua, Zhicheng Yang, Weibo Xu, Jian Wang, Lingyan Liu, Yanmeng Chu, Yu Wang, Yue Hu, Tao Yi
Photosensitizers can generate highly reactive oxygen (ROS) by light exciting, causing cell damage and apoptosis. However, conventional photosensitizers cannot kill cancer cells selectively. In this work, we report a series...
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] Threading-Induced Dynamical Transition in Tadpole-Shaped Polymers

ACS Macro Letters
DOI: 10.1021/acsmacrolett.0c00197




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Transition metal complex/gold nanoparticle hybrid materials

Chem. Soc. Rev., 2020, 49,2316-2341
DOI: 10.1039/C9CS00651F, Review Article
Cristóbal Quintana, Marie P. Cifuentes, Mark G. Humphrey
Transition metal complex/gold nanoparticle hybrid applications in sensing are critiqued, and their potential in imaging, photo-dynamic therapy, nonlinear optics, and catalysis are assessed.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Multifunctional sonosensitizers in sonodynamic cancer therapy

Chem. Soc. Rev., 2020, Advance Article
DOI: 10.1039/C9CS00648F, Tutorial Review
Subin Son, Ji Hyeon Kim, Xianwen Wang, Chuangli Zhang, Shin A Yoon, Jinwoo Shin, Amit Sharma, Min Hee Lee, Liang Cheng, Jiasheng Wu, Jong Seung Kim
Phototherapy, including photodynamic therapy and photothermal therapy, has the potential to treat several types of cancer.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Introduction to stability and transition analysis methods, SSEMID: October 23-25, 2017 / edited by E. Valero & F. Pinna

Barker Library - TA357.5.U57 I587 2018




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Instabilities of flows and transition to turbulence / Tapan K. Sengupta

Online Resource




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Sustainable Development and Energy Transition in Europe and Asia


 

Asian and European countries have adopted different approaches to the conflicting priorities of economic growth and low carbon emissions. In this volume based on the revised versions of papers presented at the 24th International Euro-Asia Research Conference held in 2019 the contrasts between the schools of thought of each continent are explored thoroughly.

Ranging from topics as diverse as city logistics, shareholder value and management practices



Read More...




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Acetotrophic methanogens are sensitive to long-term nickel contamination in paddy soil

Environ. Sci.: Processes Impacts, 2020, 22,1014-1025
DOI: 10.1039/D0EM00029A, Paper
Chen Xueping, Yu Juan, Chen Zheng, Zhang Hongmei, Cheng Wangda, Bai Fayan, Zheng Yu, Khan Imran Ahamed, He Chiquan, Liu Xiaoyan
Paddy soil accounts for approximately one-fifth of the world's cultivated area and faces a serious threat from nickel (Ni).
The content of this RSS Feed (c) The Royal Society of Chemistry




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[ASAP] Valley Polarization and Valleyresistance in a Monolayer Transition Metal Dichalcogenide Superlattice

The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.0c00863




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[ASAP] Tuning the Ambipolar Character of Copolymers with Substituents: A Density Functional Theory Study

The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.0c00678




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[ASAP] Interaction Volume Is a Measure of the Aggregation Propensity of Amyloid-ß

The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.0c00922




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[ASAP] Combining Graphics Processing Units, Simplified Time-Dependent Density Functional Theory, and Finite-Difference Couplings to Accelerate Nonadiabatic Molecular Dynamics

The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.0c00320




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[ASAP] Photogenerated-Carrier Separation and Transfer in Two-Dimensional Janus Transition Metal Dichalcogenides and Graphene van der Waals Sandwich Heterojunction Photovoltaic Cells

The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.0c00706




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[ASAP] Toward Engineering of Solution Microenvironments for the CO<sub>2</sub> Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional–Continuum Theory

The Journal of Physical Chemistry Letters
DOI: 10.1021/acs.jpclett.0c00957




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[ASAP] In Situ Phase Transition of Elastin-Like Polypeptide Chains Regulates Thermoresponsive Properties of Elastomeric Protein-Based Hydrogels

Biomacromolecules
DOI: 10.1021/acs.biomac.0c00206




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[ASAP] Reactive Polymer Targeting dsRNA as Universal Virus Detection Platform with Enhanced Sensitivity

Biomacromolecules
DOI: 10.1021/acs.biomac.0c00379




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[ASAP] Injectable and Self-Healing Nanocomposite Hydrogels with Ultrasensitive pH-Responsiveness and Tunable Mechanical Properties: Implications for Controlled Drug Delivery

Biomacromolecules
DOI: 10.1021/acs.biomac.0c00347




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The architecture of context and context-sensitivity: perspectives from philosophy, linguistics and logic / Tadeusz Ciecierski, Paweł Grabarczyk, editors

Online Resource




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Solution-processed one-dimensional CsCu2I3 nanowires for polarization-sensitive and flexible ultraviolet photodetectors

Mater. Horiz., 2020, Advance Article
DOI: 10.1039/D0MH00250J, Communication
Ying Li, Zhifeng Shi, Lintao Wang, Yancheng Chen, Wenqing Liang, Di Wu, Xinjian Li, Yu Zhang, Chongxin Shan, Xiaosheng Fang
We demonstrated a polarization-sensitive and flexible ultraviolet photodetector based on one-dimensional CsCu2I3 nanowires with a photocurrent anisotropy ratio of 3.16.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Platinum single atoms on tin oxide ultrathin films for extremely sensitive gas detection

Mater. Horiz., 2020, Advance Article
DOI: 10.1039/D0MH00495B, Communication
Yongshan Xu, Wei Zheng, Xianghong Liu, Liqiang Zhang, Lingli Zheng, Chen Yang, Nicola Pinna, Jun Zhang
Single atom Pt significantly improves the sensing performances of ultrathin SnO2 films for detection of triethylamine.
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The content of this RSS Feed (c) The Royal Society of Chemistry




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Photoionization Modelling as a Density Diagnostic of Line Emitting/Absorbing Regions in Active Galactic Nuclei / Tek Prasad Adhikari

Online Resource




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From Transition to EU Accession: the Bulgarian Labor Market During the 1990s.

Online Resource




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DBA Transformations: Building Your Career in the Transition to On-Demand Cloud Computing and Extreme Automation / by Michelle Malcher

Online Resource




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'Mental...' is sensitive towards mental illness: Ekta

Ekta Kapoor, producer of "Mental Hai Kya", says the film's title doesnt intend to offend or disregard anyones sentiments.




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Transitions between consciousness and unconsciousness / edited by Guido Hesselmann

Hayden Library - BF311.T7173 2019




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The evolution of the sensitive soul: learning and the origins of consciousness / Simona Ginsburg and Eva Jablonka ; with illustrations by Anna Zeligowski

Barker Library - BF311.G5325 2019




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Rapid tests not 100% accurate, but serve well with 70% sensitivity

While the vaccine discovery is still a long way off, we have started moving on several preventive measures and healthcare interventions. There are 25 projects to study the pathology of virus, 800 startups are mapped for Covid-specific products, says Department of Science & Technology Secretary Ashutosh Sharma.




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[ASAP] Reticular Chemistry 3.2: Typical Minimal Edge-Transitive <italic toggle="yes">Derived</italic> and <italic toggle="yes">Related</italic> Nets for the Design and Synthesis of Metal–Organic Frameworks

Chemical Reviews
DOI: 10.1021/acs.chemrev.9b00648




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New O*NET-SOC Taxonomy Transition Tools within O*NET Web Services

With the release of the O*NET 25.1 Database in November 2020, O*NET Web Services will transition to the O*NET-SOC 2019 taxonomy. This taxonomy, based on the 2018 SOC, introduces several changes to the occupations returned by our services. It includes 1,016 occupational titles, 923 of which represent O*NET data-level occupations. For more information on these changes, see the O*NET-SOC Taxonomy page at the O*NET Resource Center.

To help O*NET Web Services users with the upcoming taxonomy transition, Taxonomy Services are now available to enable developers to connect occupational data between existing systems based on the O*NET-SOC 2010 taxonomy, and the future O*NET-SOC 2019 taxonomy-based O*NET Web Services.




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Living the energy Transition (FISE/CIGRE), FISE-IEEE/CIGRE Conference [electronic journal].