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[ASAP] Nuclear Quantum Effects from the Analysis of Smoothed Trajectories: Pilot Study for Water

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b00703




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[ASAP] Polarizable Molecular Dynamics Simulations of Two <italic toggle="yes">c-kit</italic> Oncogene Promoter G-Quadruplexes: Effect of Primary and Secondary Structure on Loop and Ion Sampling

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00191




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[ASAP] Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01300




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[ASAP] Stability of Two-Quartet G-Quadruplexes and Their Dimers in Atomistic Simulations

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01068




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[ASAP] Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.9b01145




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[ASAP] Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation

Journal of Chemical Theory and Computation
DOI: 10.1021/acs.jctc.0c00268




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TN moves SC against HC order on liquor shops

The Tamil Nadu government on Saturday moved the Supreme Court challenging an interim judgment of the Madras HC to close liquor outlets run by state-run Tasmac. Following the violations of conditions imposed by the court, the high court said no liquor shops shall be kept open till the lockdown imposed by the Centre and the state government is lifted or modified.




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How much aqueous sample can an inductively coupled plasma withstand?

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00070A, Technical Note
Ahmed Al Hejami, John A. Burgener, Mirah Burgener, Diane Beauchemin
During this study, a compact infrared-heated sample introduction system at 200°C, consisting of a modified cyclonic spray chamber with a ceramic rod heater within a baffle in its centre and...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Laser-induced breakdown spectroscopy (LIBS) spectra interpretation and characterization using parallel factor analysis (PARAFAC): a new procedure for data and spectral interference processing fostering the waste electrical and electronic equipment (WEEE)

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00026D, Paper
Jeyne Pricylla Castro, Edenir Rodrigues Pereira-Filho, Rasmus Bro
For the first time, PARAFAC was used to interpret and characterize LIBS spectra, providing the pure spectra, the signal profile and relative concentration of base and noble elements present on a printed circuit board from the hard disk.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Interaction of nanoparticle properties and X-ray analytical techniques

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA00049C, Paper
Rainer Unterumsberger, Philipp Hönicke, Yves Kayser, Beatrix Pollakowski-Herrmann, Saeed Gholhaki, Quanmin Guo, Richard E. Palmer, Burkhard Beckhoff
In this work, Pt–Ti core–shell nanoparticles were characterized using reference-free X-ray fluorescence analysis and used for the investigation of the modification of the X-Ray Standing Wave (XSW) field intensity with increasing NP surface coverage.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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Calibration-free quantitative analysis of D/H isotopes with fs-laser filament

J. Anal. At. Spectrom., 2020, Accepted Manuscript
DOI: 10.1039/D0JA00062K, Paper
Genggeng Li, Huaming Hou, Pengxu Ran, Yunlong Zhao, Zhengye Zhong
The analytical characteristics of D/H isotopes with fs-laser filament are investigated via analyzing a set of D-enriched water samples with D concentrations from 0.5 to 20%. The filament emission spectra...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Atomic spectrometry update: review of advances in atomic spectrometry and related techniques

J. Anal. At. Spectrom., 2020, Advance Article
DOI: 10.1039/D0JA90015J, Atomic Spectrometry Update
E. Hywel Evans, Jorge Pisonero, Clare M. M. Smith, Rex N. Taylor
This review covers advances in atomic spectrometric techniques, including atomic emission, absorption, fluorescence and mass spectrometry. Material on speciation and coupled techniques is not covered as this is included in a separate ASU review.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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09/23:39 EST Marine Wind Warning Summary for Queensland




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How to track traffic quality and boost conversions

Imagine you got a spike of traffic from Facebook amounting to hundreds of thousands of visitors — but only a trickle of them converted.

And lets assume all the moving parts in your funnel are working properly; you’ve got a fast- loading website, great conversion copy, and well-functioning sign-up or contact forms.

Yet, with all of these things, your conversion rates from that spike of traffic were nothing to write home about. And what exactly could cause that?

complete article




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Social Networking Is Nearly Ubiquitous Among Internet Users in China

The total number of social network users in China will grow 4.8% to 859.1 million in 2020, and by 2023, nearly all internet users (96.8%) will be social network users, according to our forecast. Though the growth rate of social network users in China is slowing, there will be at least 30 million more social network users added annually between 2020 and 2023.

complete article




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BBB Tips: Be wary of too-personal social media quizzes

With most Americans under orders to stay at home due to the coronavirus pandemic, many people are turning to social media for a fun distraction. Taking a Facebook quiz about how well you know a friend or what character from your favorite TV show best matches your personality may seem like a harmless way to pass the time while quarantined, but it could also give scammers your personal information for nefarious purposes.

Not all social media quizzes are data collection scams, but some quizzes collect personal information by asking questions like: What is your mothers maiden name? or What is the name of the street you grew up on? These are common security questions for banking and credit card accounts. Sharing this information can lead to your accounts being hacked and your personal and financial information being stolen. It also can enable a scammer to impersonate you to your friends and family.

Tips to avoid social media scams:

• Be skeptical. Before you take a quiz, figure out who created it. Is it a brand you trust? Just because something appears to be fun and innocent, doesn’t mean there isn’t an inherent risk.

• Adjust privacy settings. Review your social media accounts privacy settings and be strict about what information you share — and with whom you are sharing it.




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FBI issues warning about social media sharing in quarantine

The Federal Bureau of Investigations (FBI) has issued a warning about sharing too much information on social media while being at home.

The FBI specifically is warning about trends such as posting your senior picture and graduation year.Officials also say beware of social media games that require you to tag a parent or post a picture of your first car.

They say these are often the answers to security questions and hackers can use the information to reset your passwords and get into your accounts.




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Sharad Pawar requests PM Modi for smooth repatriation of migrants

NCP chief Sharad Pawar has requested Prime Minister Narendra Modi to talk to chief ministers of those states who are not allowing migrant workers to come back home.




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Is Ryan Tannehill a top-10 fantasy QB in 2020?

Yahoo Fantasy’s Matt Harmon and Dalton Del Don discuss if the Titans quarterback is a solid fantasy option after a bounce back 2019 campaign. Subscribe to the Yahoo Fantasy Football Podcast on Apple Podcasts, Spotify or wherever you get your podcasts.




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NFL Network's Mike Robinson, Steve Wyche discuss Los Angeles Rams' top questions for 2020

NFL Network's Mike Robinson and Steve Wyche discuss Los Angeles Rams' top questions for 2020.




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Two-step sequential blade-coating of high quality perovskite layers for efficient solar cells and modules

J. Mater. Chem. A, 2020, 8,8447-8454
DOI: 10.1039/D0TA02043E, Paper
Junwen Zhang, Tongle Bu, Jing Li, Hengyi Li, Yanping Mo, Zhengli Wu, Yifan Liu, Xiao-Li Zhang, Yi-Bing Cheng, Fuzhi Huang
A two-step sequential blade-coating process in air to fabricate high-efficiency perovskite solar cells and modules.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Vanadium nitride for aqueous supercapacitors: a topic review

J. Mater. Chem. A, 2020, 8,8218-8233
DOI: 10.1039/D0TA01490G, Review Article
Ying Liu, Qianghong Wu, Lingyang Liu, Pantrangi Manasa, Long Kang, Fen Ran
Supercapacitors have emerged as the most attractive complementary devices between batteries and conventional capacitors, while a high performance electrode material is key to their energy storage advancement.
The content of this RSS Feed (c) The Royal Society of Chemistry




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An environmentally adaptive quasi-solid-state zinc-ion battery based on magnesium vanadate hydrate with commercial-level mass loading and anti-freezing gel electrolyte

J. Mater. Chem. A, 2020, 8,8397-8409
DOI: 10.1039/D0TA01033B, Paper
Weijun Zhou, Jizhang Chen, Minfeng Chen, Anran Wang, Aixiang Huang, Xinwu Xu, Junling Xu, Ching-Ping Wong
A quasi-solid-state zinc-ion battery exhibits remarkable areal and volumetric energy/power densities and excellent cyclability from −30 to 60 °C.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Synthesis of metal-free lightweight materials with sequence-encoded properties

J. Mater. Chem. A, 2020, 8,8752-8760
DOI: 10.1039/D0TA03162C, Paper
Adi Azoulay, Jesús Barrio, Jonathan Tzadikov, Michael Volokh, Josep Albero, Christel Gervais, Pilar Amo-Ochoa, Hermenegildo García, Félix Zamora, Menny Shalom
A general synthesis of phosphorus–nitrogen–carbon materials with highly tunable elemental composition and spatial organization as well as structural, electronic, and thermal stability properties is reported.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Understanding the mechanism of byproduct formation with in operando synchrotron techniques and its effects on the electrochemical performance of VO2(B) nanoflakes in aqueous rechargeable zinc batteries

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA00858C, Paper
Qiang Pang, Hainan Zhao, Ruqian Lian, Qiang Fu, Yingjin Wei, Angelina Sarapulova, Junqi Sun, Chunzhong Wang, Gang Chen, Helmut Ehrenberg
The byproduct protects the vanadium-based positive electrode of ARZBs and facilitates Zn2+ insertion into the electrode.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Quasi-quantum dot-induced stabilization of α-CsPbI3 perovskite for high-efficiency solar cells

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA02807J, Paper
Cheng Liu, Yi Yang, Xin Liu, Yong Ding, Zulqarnain Arain, Xinye Li, Yuanlong Li, Zian Zhou, Songyuan Dai, Mohammad Khaja Nazeeruddin
Quasi-quantum dots α-CsPbI3 films are in situ prepared by using a new ligand with ultralow contents. By increasing the film hydrophobicity and surface Gibbs energy, the device with efficiency of 13.5% keeps stable under ambient condition for 30 days.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Achieving a 2.7 V aqueous hybrid supercapacitor by the pH-regulation of electrolyte

J. Mater. Chem. A, 2020, 8,8648-8660
DOI: 10.1039/D0TA02926B, Paper
Lijun Su, Qingnuan Zhang, Yue Wang, Jianing Meng, Yongtai Xu, Lingyang Liu, Xingbin Yan
We present an effective electrolyte pH-regulation strategy for cation-intercalated manganese oxides to extend the voltage window of aqueous supercapacitors.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Moisture-tolerant and high-quality α-CsPbI3 films for efficient and stable perovskite solar modules

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA01968B, Paper
Ruihao Chen, Yong Hui, Binghui Wu, Yongke Wang, Xiaofeng Huang, Zhongyuan Xu, Pengpeng Ruan, Wuyong Zhang, Fangwen Cheng, Weijie Zhang, Jun Yin, Jing Li, Nanfeng Zheng
Crown ether effectively stabilizes the cubic phase of CsPbI3 to inhibit the moisture invasion and phase transformation of CsPbI3 films, producing large-area devices and improving device performance.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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A highly efficient artificial light-harvesting system with two-step sequential energy transfer based on supramolecular self-assembly

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA03169K, Paper
Guangping Sun, Weirui Qian, Jianmin Jiao, Tingting Han, Yukun Shi, Xiao-Yu Hu, Leyong Wang
An efficient artificial light-harvesting system with two-step sequential energy transfer has been successfully constructed based on supramolecular self-assembly.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Highly efficient and durable aqueous electrocatalytic reduction of CO2 to HCOOH with a novel bismuth–MOF: experimental and DFT studies

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA00384K, Paper
Xurui Zhang, Yanxing Zhang, Qingqing Li, Xiaodong Zhou, Qingyu Li, Jin Yi, Yuyu Liu, Jiujun Zhang
Electrochemical reduction of carbon dioxide (ERCO2) to low-carbon fuel and useful chemicals, which can simultaneously store renewable energy and recover CO2 in a green manner, has proven to be a viable energy storage and conversion strategy.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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The nature of the methylamine–MAPbI3 complex: fundamentals of gas-induced perovskite liquefaction and crystallization

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA02494E, Paper
Dmitry Bogachuk, Lukas Wagner, Simone Mastroianni, Michael Daub, Harald Hillebrecht, Andreas Hinsch
In this work we scrutinize the exact interaction mechanisms between methylamine and perovskite based on extensive experimental evidence.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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VS4 with chain crystal structure used as an intercalation cathode for an aqueous Zn-ion battery

J. Mater. Chem. A, 2020, Accepted Manuscript
DOI: 10.1039/D0TA02645J, Communication
Qiancheng Zhu, Qin Xiao, Bowen Zhang, Zhengcong Yan, Xi Liu, Shuo Chen, Zhifeng Ren, Ying Yu
Non-aqueous lithium-ion batteries are currently widely used throughout society, but aqueous batteries could be more feasible for grid-scale applications or even electric cars when factors like cost and safety are...
The content of this RSS Feed (c) The Royal Society of Chemistry




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Hydrophilic ultrafiltration membranes with surface-bound eosin Y for an integrated synthesis-separation system of aqueous RAFT photopolymerization

J. Mater. Chem. A, 2020, Advance Article
DOI: 10.1039/D0TA03112G, Paper
Yujie Zhao, Senlin Shao, Jiangbin Xia, Ya Huang, Yu Chi Zhang, Xue Li, Tao Cai
The photocatalyst-based ultrafiltration membrane fitted integrated synthesis–separation system holds the promises to bridge the gap between the precision of PET-RAFT polymerization and the efficiency of membrane separation process.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




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TONIGHT: "Fearless" with Alice McDermott

I“Fearless: A Tribute to Irish American Women,” features novelist Alice McDermott in conversation with Pennsylvania Rep. Mary Gay Scanlon and CBS News’ Margaret Brennan.

McDermott’s critically acclaimed eighth novel, “The Ninth Hour,” set in Irish Brooklyn, was a finalist for the 2017 National Book Critics Circle Award and the 2017 Kirkus Prize for Fiction. Time magazine, The Wall Street Journal, NPR and others named the novel among the top works of fiction in 2017. McDermott is known for her portrayals of Irish American family life.

Scanlon is an education and human rights advocate representing Pennsylvania’s 5th District. She was first sworn in as a member of Congress on Nov. 13, 2018. Brennan is moderator of CBS News’ “Face the Nation” and the network’s senior foreign affairs correspondent based in Washington. All three women will discuss their Irish backgrounds and family stories.

Watch TONIGHT Thursday, Feb. 6 at 7pm ET on the Library's YouTube channel.

 




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Advanced CSS Tricks and Techniques

As time goes by, CSS is becoming more and more powerful and nowadays it offers lots of possibilities to create visually stunning websites. This article is a compilation of fresh, advanced CSS tips and techniques to master your web design and front-end web development skills. Each technique features sample code snippet, demo, and explanations. Warning: …

Advanced CSS Tricks and Techniques Read More »




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Useful SQL Queries To Clean Up Your WordPress Database

After years of usage, your WordPress database can contain weird characters, be filled with data you don’t need anymore, and so on. In this article, you will learn about SQL queries to clean up your WordPress database. Two things to note: First, any of these queries should be preceded by a backup of your whole …

Useful SQL Queries To Clean Up Your WordPress Database Read More »




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Hydroxychloroquine no wonder drug for treating COVID-19, can be fatal: Experts

While frantic efforts are underway to develop a vaccine and doctors all over try and control the spread of the disease for which there is yet no cure, hydroxychloroquine, or HCQ, has emerged as a prime focus area of treatment.




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CSIR submits 53 genome sequences of coronavirus to global body; to share 450 more by May 15

CSIR's Institute of Genomics and Integrative Biology (IGIB), Delhi, Centre for Cellular and Molecular Biology (CCMB), Hyderabad and Institute of Microbial Technology, Chandigarh are currently sequencing the genomes of the novel coronavirus, he said. Other CSIR institutes are also expected to join the process.




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Bilateral deals might not be equitable for Covid-19: MPP executive director Charles Gore

The Medicines Patent Pool is a United Nations-backed public health organisation that helps middle- and low-income countries get access to critical drugs. MPP executive director Charles Gore told ET’s Divya Rajagopal about the organisation’s plan to ensure equitable access of Covid-19 drugs and vaccines.




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Pièces de clavecin L1, 2 / Élisabeth-Claude Jacquet de la Guerre ; Elisabetta Guglielmin, harpsichord

MEDIA PhonCD J166 piecl b




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Blood, forgotten / Mark Nowakowski ; Emily Ondracek-Peterson, solo violin ; Voxare String Quartet

MEDIA PhonCD N8605 insmu




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Requiem / Harbison

MEDIA PhonCD H213 req




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Color theory: music for saxophones, percussion and Harry Partch instruments / Prism Quartet, Sō Percussion, Partch

MEDIA PhonCD P937 col




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Concerti per violino: "La boemia" / Vivaldi

MEDIA PhonCD V836 covb h




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String quartets / Helmut Zapf

MEDIA PhonCD Z17 quas




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Geste zu Vedova: Streichquartette ; Streichquintett / Wolfgang Rihm

MEDIA PhonCD R45 chamu b




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Near East Quartet / Sungjae Son

MEDIA PhonCD J N27 nea




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Duo, Fives, Quintet, Trio / Robert Erickson

MEDIA PhonCD Er44 chamu




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String quartets nos. 6 and 7 / Philip Glass

MEDIA PhonCD G463 chamu




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Atmospheres transparent/opaque / Catherine Lamb

MEDIA PhonCD L1653 sel