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Machine learning methods to predict the crystallization propensity of small organic molecules

CrystEngComm, 2020, 22,2817-2826
DOI: 10.1039/D0CE00070A, Paper
Florbela Pereira
Machine learning algorithms were explored for the prediction of the crystallization propensity based on molecular descriptors and fingerprints generated from 2D chemical structures and 3D chemical structures optimized with empirical methods.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Self-assembled natLiCl–CeCl3 directionally solidified eutectics for thermal neutron detection

CrystEngComm, 2020, Advance Article
DOI: 10.1039/C9CE01884K, Communication
Shuangliang Cheng, Rachel E. Hunneke, Mengkun Tian, Eric Lukosi, Mariya Zhuravleva, Charles L. Melcher, Yuntao Wu
We developed novel LiCl–CeCl3 eutectic scintillators that are capable of detecting thermal neutrons.
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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Effect of dilution in a hydrothermal process and post-synthetic annealing on the tailoring of hierarchical ZnO nanostructures

CrystEngComm, 2020, 22,3059-3069
DOI: 10.1039/D0CE00310G, Paper
Smriti Thakur, Sanjay K. Mandal
Morphology transformation and dimensionality change as a result of dilution and post-synthetic annealing are reported.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Highly porous aluminophosphates with unique three dimensional open framework structures from mild hydrothermal syntheses

CrystEngComm, 2020, 22,3070-3078
DOI: 10.1039/D0CE00075B, Paper
Yucheng Hao, Yang Pan, Yuan Lin, Linbo He, Guangjie Ge, Yu Ruan, Haida Zhou, Yang Xue, Kisan Koirala
Three novel highly porous aluminophosphates were synthesized through mild hydrothermal methods. Interestingly, among them, α-NaAlPO4(OH) is polar and exhibits moderate nonlinear optical properties with a short cutoff edge.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Nanosheet-assembled carbonated hydroxyapatite microspheres prepared by an EDTA-assisted hydrothermal homogeneous precipitation route

CrystEngComm, 2020, 22,2884-2888
DOI: 10.1039/D0CE00305K, Communication
Mei-li Qi, Shengkun Yao, Xiao-Cun Liu, Xiaoning Wang, Fengkun Cui
Well-defined carbonated hydroxyapatite microspheres assembled from nanosheets were synthesized by a Na2EDTA-assisted hydrothermal homogeneous precipitation route.
The content of this RSS Feed (c) The Royal Society of Chemistry




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Hydrothermal synthesis and tunable up-conversion white luminescence properties of KSc(MoO4)2:Ln3+ (Ln = Yb, Er, Tm and Ho) crystals

CrystEngComm, 2020, Advance Article
DOI: 10.1039/D0CE00253D, Paper
Yini Mao, Li Jiang, Pengfei Xian, Qiongfen Fu, Shanshan Hu, Jun Yang
Pure hexagonal phase KSc(MoO4)2 crystals with a hexagonal block shape were successfully synthesized via a one-step hydrothermal method.
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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Facile One–pot Solvothermal Synthesis of CdTe Nanorods and Their Photoelectrical Properties

CrystEngComm, 2020, Accepted Manuscript
DOI: 10.1039/D0CE00459F, Communication
Binnian Zhong, Weifeng Kang, Zhiwei Zhang, Linhui Zhang, Bin Ma
Uniform CdTe NRs were synthesized by a one-pot PVP-assisted solvothermal process under mild conditions. By adjusting the amounts of the surfactant, reducing agent and the reaction temperature, CdTe NRs with...
The content of this RSS Feed (c) The Royal Society of Chemistry




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A Malayalam song from Italy to beat the pandemic

As Italians sing on their balconies to keep their morale high, this priest renders 'Aayiram Kannumayi' from the 1984 film 'Nokketha Doorathu Kannum Nattu'




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Optimal mitigation policies in a pandemic [electronic resource] : social distancing and working from home / Callum J. Jones, Thomas Philippon, Venky Venkateswaran

Cambridge, Mass. : National Bureau of Economic Research, 2020




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PIX: Kareena parties with Malaika

When Amrita Arora turned 42 on January 31, her family and close friends made sure to party with her.





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Box Office: Malang fares average; Shikara, Hacked flop

Vinod Mirani gives us the weekly box office verdict.





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February fashion goals from Malaika, Deepika, Kiara

February fashion goals from Deepika, Taapsee, Kiara!





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Nushrat, Deepika, Malaika rock thigh-high slit gowns

Namrata Thakker shows us the other trend in town: thigh-high slit gowns.





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Malaika enjoys her nap time during the lockdown

Bollywood is doing everything it can to busy themselves during the national lockdown. And some of them are adding a touch of humour too.





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Trauma-informed practices with children and adolescents / William Steele and Cathy A. Malchiodi

Steele, William




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New worlds from below [electronic resource] : informal life politics and grassroots action in twenty-first century Northeast Asia / edited by Tessa Morris-Suzuki and Eun Jeong Soh




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Community-based entrepreneurship and rural development [electronic resource] : creating favourable conditions for small businesses in Central Europe / by Matthias Fink, Stephan Loidl, and Richard Lang

Fink, Matthias




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The rural world [electronic resource] : education and development / Louis Malassis

Malassis, Louis, author




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Kids, Coronavirus, and Small Groups

A conversation with Dan Scott




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Small Groups Ministry in the New Reality

A discussion on the raw essentials of group ministry and practical ways to evaluate and develop a more vibrant groups ministry.




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Advances in sustainable polymers: processing and applications / Vimal Katiyar, Raghvendra Gupta, Tabli Ghosh, editors

Online Resource




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Metal fatigue: effects of small defects and nonmetallic inclusions / Yukitaka Murakami

Online Resource




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Green production of carbon nanomaterials in molten salts and applications Ali Reza Kamali

Online Resource




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Smallest mimes : defaced representation and media epistemology / Paul Majkut

Majkut, Paul, author




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The auditor is much maligned, but essential to protect the organisation

Rules are created to protect organisations. Some rules create efficiency while others de-risk the company.




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Numaligarh Refinery to import 21TMT of crude oil from Petronas Malaysia

Managing Director of NRL S K Barua tweeted, “NRL is importing 21TMT crude oil from Petronas through Haldia port to be rail freighted to Numaligarh for future processing. A step towards ensuring energy security.”




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Numaligarh Refinery awards Rs 300 cr expansion project to thyssenkrupp

According to the company, thyssenkrupp will provide engineering, procurement and construction management (EPCM) services for various units of the refinery located in Numaligarh




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Small businesses will opt for gold loans to restart business

Gold loans for business purposes are mostly used by small businesses as short-term working capital for stocking. With gold prices hovering around Rs 47,000 per 10 gm, small businesses will need to take loans to resume operations, said industry executives.




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Working capital loan sanctions doubled in 2 days: Nirmala Sitharaman

A day after suggesting that Indian economy is "poised to recover" as indicated by high levels of loan sanctions by banks over last two months, Finance Minister Nirmala Sitharaman on Saturday pointed out that banks are leaving no stone unturned to ensure that the current coronavirus situation does not result in liquidity crisis for businesses.




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Centre mulls reviving animal markets

Exports have come to a standstill as most meat units ran out of existing stocks early this month and animal markets have been shut for weeks. Animal husbandry minister of Uttar Pradesh, Lakshmi Narayan Chaudhari, said curbs will slowly be lifted, which should cheer famers and exporters in the state that accounts nearly 70% of buffalo meat export from India.




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PIX: Spain steps gingerly towards normality

Prime Minister Pedro Sanchez's government is anxious to get the country up and running again without igniting a second wave of infections as the economy reels and Spaniards gradually emerge from nearly eight weeks under lockdown.




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From little things big things grow : supporting Australian SMEs go global : inquiry into accss to free trade agreements by small and medium enterprises / Joint Standing Committee on Foreign Affairs, Defence and Trade

Australia. Parliament. Joint Standing Committee on Foreign Affairs, Defence and Trade, author, issuing body




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CSR 2.0 and the new era of corporate citizenship / Mark Anthony Camilleri (University of Malta, Malta), [editor]




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Malda: Eleven crib deaths in 48 hours

Eleven infants reportedly died in the last 48 hours at the Malda Medical College and Hospital.




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3 more babies die in Malda hospital, toll 18

All the three babies who died since Friday were underweight and had developed respiratory distress immediately after birth.




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In times of pricey potatoes, locals loot Malda market

After getting the information a a team of police officials from Manick Chowk police station rushed to the spot.




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Shunted cop wrote twice to govt before arresting Malda DM

Case looked at as hierarchy battle between IAS, IPS.




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NTPC to start work on Burdwan thermal power plant

The project was caught in a controversy over acquisition of land as well as acquisition of coal block.




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Eco survey: Small shops giving competition to big retailers

Traditional retailers are giving strong competition to organised retailers and the decision to permit foreign retailers to open stores in the country will not affect small players in India, the government said today.




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Economic Survey: Banks open 40,000 ultra-small branches

Indian banks have set up over 40,000 ultra-small branches across the country to drive financial inclusion in un-banked and under-banked centres, according to the Economic Survey for 2012-13.




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Small wonder

Even as debate continues over the efficacy of the Rs 60,000 crore loan waiver offered by the Government...




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Central funds not benefiting us, say J-K small fruit growers

All''s not well with the horticulture industry in Jammu and Kashmir. Even as the state Government claims to have spent Rs 88 crore...




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Orissa bans Bt Brinjal citing small farmers'' interests and biosafety concerns

Despite the Genetic Engineering Approval Committee giving its nod to the commercial cultivation of Bt Brinjal last week....




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Punjab''s small farmers cast their net wide

Precision farming practice is scaling new heights in Punjab with net house farming of vegetables picking up not only amongst...




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A soy oil processing tech may help fight malnutrition in MP

Besides, the solvent extraction technology is also not environment-friendly.