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Chemical Science HOT Articles: May 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for May 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

Browse a selection of our May HOT articles below:

Aromatic side-chain flips orchestrate the conformational sampling of functional loops in human histone deacetylase 8
Vaibhav Kumar Shukla, Lucas Siemons, Francesco L. Gervasio and D. Flemming Hansen
Chem. Sci., 2021, Advance Article

Blue-conversion of organic dyes produces artifacts in multicolor fluorescence imaging
Do-Hyeon Kim, Yeonho Chang, Soyeon Park, Min Gyu Jeong, Yonghoon Kwon, Kai Zhou, Jungeun Noh, Yun-Kyu Choi, Triet Minh Hong, Young-Tae Chang and Sung Ho Ryu
Chem. Sci., 2021, Advance Article

Controllable DNA strand displacement by independent metal–ligand complexation
Liang-Liang Wang, Qiu-Long Zhang, Yang Wang, Yan Liu, Jiao Lin, Fan Xie and Liang Xu
Chem. Sci., 2021, Advance Article

Spatial-confinement induced electroreduction of CO and CO2 to diols on densely-arrayed Cu nanopyramids
Ling Chen, Cheng Tang, Kenneth Davey, Yao Zheng, Yan Jiao and Shi-Zhang Qiao
Chem. Sci., 2021, Advance Article

Manipulating valence and core electronic excitations of a transition-metal complex using UV/Vis and X-ray cavities
Bing Gu, Stefano M. Cavaletto, Daniel R. Nascimento, Munira Khalil, Niranjan Govind and Shaul Mukamel
Chem. Sci., 2021, Advance Article

Chemical Science, Royal Society of Chemistry

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Chemical Science welcomes new Associate Editor Graeme Day

We wish a very warm welcome to our new Chemical Science Associate Editor Graeme Day!

 

Chemcial Science Associate Editor Graeme Day

 

Graeme Day was born in Canada and studied chemistry, mathematics and computing science at Saint Mary’s University in Halifax before moving to the University of Oxford for a Masters in theoretical chemistry and a PhD in computational chemistry at University College London. After postdoctoral work in the Pfizer Institute for Pharmaceutical Materials at the University of Cambridge, Graeme began his independent research as a Royal Society University Research Fellow, also in Cambridge, spending most of his time working on modelling pharmaceutical materials and computational methods for interpreting terahertz spectra of molecular crystals. He moved to the University of Southampton in 2012, where he is now Professor of Chemical Modelling, and was awarded a European Research Council Starting Grant for the ‘Accelerated design and discovery of novel molecular materials via global lattice energy minimisation’ (ANGLE). This grant shifted the focus of his research to functional materials, including porous crystals and organic electronics.

In 2020, Graeme was awarded an ERC Synergy grant ‘Autonomous Discovery of Advanced Materials’ (ADAM) with Professors Andrew Cooper (Liverpool) and Kerstin Thurow (Rostock) to integrate computational predictions, chemical space exploration with automation and robotics in the materials discovery lab. He continues to work in the area of pharmaceutical solid form modelling, has worked on methods for NMR crystallography and has a developing interest in applying machine learning methods for accelerating simulations, analysing energy landscapes and generating ideas.

Browse a selection of Graeme’s work below:

Evolutionary chemical space exploration for functional materials: computational organic semiconductor discovery
Chi Y. Cheng, Josh E. Campbell and Graeme M. Day
Chem. Sci., 2020, 11, 4922-4933

Crystal structure determination of an elusive methanol solvate – hydrate of catechin using crystal structure prediction and NMR crystallography
Marta K. Dudek, Piotr Paluch, Justyna Śniechowska, Karol P. Nartowski, Graeme M. Day and Marek J. Potrzebowski
CrystEngComm, 2020, 22, 4969-4981

Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework
Catherine M. Aitchison, Christopher M. Kane, David P. McMahon, Peter R. Spackman, Angeles Pulido, Xiaoyan Wang, Liam Wilbraham, Linjiang Chen, Rob Clowes, Martijn A. Zwijnenburg, Reiner Sebastian Sprick, Marc A. Little, Graeme M. Day and Andrew I. Cooper
J. Mater. Chem. A, 2020, 8, 7158-7170

Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights
Peng Cui, David P. McMahon, Peter R. Spackman, Ben M. Alston, Marc A. Little, Graeme M. Day and Andrew I. Cooper
Chem. Sci., 2019, 10, 9988-9997

 

Chemical Science, Royal Society of Chemistry

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Chemical Science HOT Articles: April 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for April 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

 

Browse a selection of our April HOT articles below:

Reaction-based machine learning representations for predicting the enantioselectivity of organocatalysts
Simone Gallarati, Raimon Fabregat, Rubén Laplaza, Sinjini Bhattacharjee, Matthew D. Wodrich and Clemence Corminboeuf
Chem. Sci., 2021, Advance Article

Deaminative meta-C–H alkylation by ruthenium(ii) catalysis
Wen Wei, Hao Yu, Agnese Zangarelli and Lutz Ackermann
Chem. Sci., 2021, Advance Article

Prediction and mitigation of mutation threats to COVID-19 vaccines and antibody therapies
Jiahui Chen, Kaifu Gao, Rui Wang and Guo-Wei Wei
Chem. Sci., 2021, Advance Article

Recent advances in single atom catalysts for the electrochemical carbon dioxide reduction reaction
Jincheng Zhang, Weizheng Cai, Fang Xin Hu, Hongbin Yang and Bin Liu
Chem. Sci., 2021, Advance Article

Wavy graphene sheets from electrochemical sewing of corannulene
Carlo Bruno, Eleonora Ussano, Gianni Barucca, Davide Vanossi, Giovanni Valenti, Edward A. Jackson, Andrea Goldoni, Lucio Litti, Simona Fermani, Luca Pasquali, Moreno Meneghetti, Claudio Fontanesi, Lawrence T. Scott, Francesco Paolucci and Massimo Marcaccio
Chem. Sci., 2021, Advance Article

Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos ligand
Jessica Rodriguez, Alexis Tabey, Sonia Mallet-Ladeira and Didier Bourissou
Chem. Sci., 2021, Advance Article

 

Chemical Science, Royal Society of Chemistry

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Chemical Science welcomes new Associate Editor Hemamala Karunadasa

We wish a very warm welcome to our new Chemical Science Associate Editor Hemamala Karunadasa!

Hemamala Karunadasa Chemical Science Associate Editor

 

Hemamala Karunadasa is an Associate Professor of Chemistry at Stanford University and a Faculty Scientist at the SLAC National Lab. Her group is invested in gaining synthetic control over extended ionic solids, with a focus on halide perovskites. They seek to both improve technologically important materials as well as to design new materials with unprecedented properties.

Hemamala was born in Sri Lanka and attended school in Colombo. She studied solid-state chemistry at Princeton University, receiving her A.B. in 2003. She moved to molecular inorganic chemistry for my Ph.D., which she received from UC Berkeley in 2009, and for her postdoctoral studies at the Lawrence Berkeley National Lab and at the California Institute of Technology.

As an associate editor, Hemamala looks forward to receiving papers that provide fundamental insights into obtaining desirable properties from new materials.

 

Browse a selection of Hemamala’s work below:

Dimensional reduction of the small-bandgap double perovskite Cs2AgTlBr6
Bridget A. Connor, Raisa-Ioana Biega, Linn Leppert and Hemamala I. Karunadasa
Chem. Sci., 2020, 11, 7708-7715
DOI: 10.1039/D0SC01580F, Edge Article

A pencil-and-paper method for elucidating halide double perovskite band structures
Adam H. Slavney, Bridget A. Connor, Linn Leppert and Hemamala I. Karunadasa
Chem. Sci., 2019, 10, 11041-11053
DOI: 10.1039/C9SC03219C, Edge Article

Tuning the bandgap of Cs2AgBiBr6 through dilute tin alloying
Kurt P. Lindquist, Stephanie A. Mack, Adam H. Slavney, Linn Leppert, Aryeh Gold-Parker, Jonathan F. Stebbins, Alberto Salleo, Michael F. Toney, Jeffrey B. Neaton and Hemamala I. Karunadasa
Chem. Sci., 2019, 10, 10620-10628
DOI: 10.1039/C9SC02581B, Edge Article

Structural origins of broadband emission from layered Pb–Br hybrid perovskites
Matthew D. Smith, Adam Jaffe, Emma R. Dohner, Aaron M. Lindenberg and Hemamala I. Karunadasa
Chem. Sci., 2017, 8, 4497-4504
DOI: 10.1039/C7SC01590A, Edge Article

 

Chemical Science, Royal Society of Chemistry

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Chemical Science HOT Articles: March 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for March 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

 

Browse a selection of our March HOT articles below:

Photoactive electron donor–acceptor complex platform for Ni-mediated C(sp3)–C(sp2) bond formation
Lisa Marie Kammer, Shorouk O. Badir, Ren-Ming Hu and Gary A. Molander
Chem. Sci., 2021, Advance Article

Exploiting host–guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages
Aaron J. Scott, Julia Vallejo, Arup Sarkar, Lucy Smythe, E. Regincós Martí, Gary S. Nichol, Wim T. Klooster, Simon J. Coles, Mark Murrie, Gopalan Rajaraman, Stergios Piligkos, Paul J. Lusby and Euan K. Brechin
Chem. Sci., 2021, Advance Article

DNA-based constitutional dynamic networks as functional modules for logic gates and computing circuit operations
Zhixin Zhou, Jianbang Wang, R. D. Levine, Francoise Remacle and Itamar Willner
Chem. Sci., 2021, Advance Article

Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(ii)/Sm(iii) relay catalytic three-component tandem [4 + 3]-cycloaddition
Chaoran Xu, Jianglin Qiao, Shunxi Dong, Yuqiao Zhou, Xiaohua Liu and Xiaoming Feng
Chem. Sci., 2021, Advance Article

Targeted 1,3-dipolar cycloaddition with acrolein for cancer prodrug activation
Ambara R. Pradipta, Peni Ahmadi, Kazuki Terashima, Kyohei Muguruma, Motoko Fujii, Tomoya Ichino, Satoshi Maeda and Katsunori Tanaka
Chem. Sci., 2021, Advance Article

Three-membered cyclic digermylenes stabilised by an N-heterocyclic carbene
Zhaowen Dong, Jan Mathis Winkler, Marc Schmidtmann and Thomas Müller
Chem. Sci., 2021, Advance Article

 

Chemical Science, Royal Society of Chemistry

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Chemical Science HOT Articles: February 2021

New month, new HOT articles!

We are pleased to share a selection of our referee-recommended HOT articles for February 2021. We hope you enjoy reading these articles, congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

 

Browse a selection of our February HOT articles below:

Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis
Jens Handelmann, Chatla Naga Babu, Henning Steinert, Christopher Schwarz, Thorsten Scherpf, Alexander Kroll and Viktoria H. Gessner;
Chem. Sci., 2021, Advance Article

Ruthenium-catalyzed formal sp3 C–H activation of allylsilanes/esters with olefins: efficient access to functionalized 1,3-dienes
Dattatraya H. Dethe, Nagabhushana C. Beeralingappa, Saikat Das and Appasaheb K. Nirpal
Chem. Sci., 2021, Advance Article

Symmetry-related residues as promising hotspots for the evolution of de novo oligomeric enzymes
Jaeseung Yu, Jinsol Yang, Chaok Seok and Woon Ju Song
Chem. Sci., 2021, Advance Article

Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors
Seifallah Abid, Yohan Gisbert, Mitsuru Kojima, Nathalie Saffon-Merceron, Jérôme Cuny, Claire Kammerer and Gwénaël Rapenne
Chem. Sci., 2021, Advance Article

The atomic-level regulation of single-atom site catalysts for the electrochemical CO2 reduction reaction
Qingyun Qu, Shufang Ji, Yuanjun Chen, Dingsheng Wang and Yadong Li
Chem. Sci., 2021, Advance Article

Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(ii)
Marcos Rubín-Osanz, François Lambert, Feng Shao, Eric Rivière, Régis Guillot, Nicolas Suaud, Nathalie Guihéry, David Zueco, Anne-Laure Barra, Talal Mallah and Fernando Luis
Chem. Sci., 2021, Advance Article
Chemical Science, Royal Society of Chemistry

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Chemical Science HOT Articles: January 2021

New year, new HOT article collection!

We are pleased to share a selection of our referee-recommended HOT articles for January 2021. We hope you enjoy reading these articles and congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download.

You can explore our full 2021 Chemical Science HOT Article Collection here!

 

Browse a selection of our January HOT articles below:

Directed evolution of cyclic peptides for inhibition of autophagy
Joshua P. Gray, Md. Nasir Uddin, Rajan Chaudhari, Margie N. Sutton, Hailing Yang, Philip Rask, Hannah Locke, Brian J. Engel, Nefeli Batistatou, Jing Wang, Brian J. Grindel, Pratip Bhattacharya, Seth T. Gammon, Shuxing Zhang, David Piwnica-Worms, Joshua A. Kritzer, Zhen Lu, Robert C. Bast, Jr. and Steven W. Millward
Chem. Sci., 2021, Advance Article

Conformational analysis by UV spectroscopy: the decisive contribution of environment-induced electronic Stark effects
Jeremy Donon, Sana Habka, Michel Mons, Valérie Brenner and Eric Gloaguen
Chem. Sci., 2021, Advance Article

Identifying key mononuclear Fe species for low-temperature methane oxidation
Tao Yu, Zhi Li, Wilm Jones, Yuanshuai Liu, Qian He, Weiyu Song, Pengfei Du, Bing Yang, Hongyu An, Daniela M. Farmer, Chengwu Qiu, Aiqin Wang, Bert M. Weckhuysen, Andrew M. Beale and Wenhao Luo
Chem. Sci., 2021, Advance Article

A feasible approach for automatically differentiable unitary coupled-cluster on quantum computers
Jakob S. Kottmann, Abhinav Anand and Alán Aspuru-Guzik
Chem. Sci., 2021, Advance Article

A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release
David Villarón, Maxime A. Siegler and Sander J. Wezenberg
Chem. Sci., 2021, Advance Article

Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}
Jie Yie Lee, Sanliang Ling, Stephen P. Argent, Mark S. Senn, Laura Cañadillas-Delgado and Matthew J. Cliffe
Chem. Sci., 2021, Advance Article

Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex
Takashi Kurogi, Kaito Kuroki, Shunsuke Moritani and Kazuhiko Takai
Chem. Sci., 2021, Advance Article
Chemical Science, Royal Society of Chemistry

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Chemical Science welcomes new Associate Editor Jinlong Gong

Jinlong Gong, Chemical Science Associate Editor

We wish a very warm welcome to our new Chemical Science Associate Editor Jinlong Gong!

 

Jinlong Gong studied chemical engineering and received his B.S. and M.S. degrees from Tianjin University and his Ph.D. from the University of Texas at Austin. Upon the completion of postdoctoral research at Harvard University, he joined the faculty of chemical engineering at Tianjin University, where he currently holds a Pei Yang Chair Professorship.

His research group work on heterogeneous catalysis and kinetics with a focus on catalytic conversions of small molecules, production of hydrogen energy, and syntheses and applications of nanostructured catalytic materials.

 

Browse a selection of Jinlong’s work below:

Facilitating the reduction of V–O bonds on VOx/ZrO2 catalysts for non-oxidative propane dehydrogenation
Yufei Xie, Ran Luo, Guodong Sun, Sai Chen, Zhi-Jian Zhao, Rentao Mu and Jinlong Gong
Chem. Sci., 2020, 11, 3845-3851
DOI: 10.1039/D0SC00690D, Edge Article

Gas–water interface engineered exceptional photoconversion of fatty acids to olefins
Qin Dai, Jingyi Lin, Hongbin Cao, He Zhao, Guangfei Yu, Chaoqun Li, Tianyu Wang, Yanchun Shi, Guangwei Wang and Jinlong Gong
Green Chem., 2020, 22, 7848-7857
DOI: 10.1039/D0GC02237C, Paper

Theoretical insights into single-atom catalysts
Lulu Li, Xin Chang, Xiaoyun Lin, Zhi-Jian Zhao and Jinlong Gong
Chem. Soc. Rev., 2020, 49, 8156-8178
DOI: 10.1039/D0CS00795A, Review Article

Operando characterization techniques for electrocatalysis
Jingkun Li and Jinlong Gong
Energy Environ. Sci., 2020, 13, 3748-3779
DOI: 10.1039/D0EE01706J, Review Article

Core–shell structured catalysts for thermocatalytic, photocatalytic, and electrocatalytic conversion of CO2
Sonali Das, Javier Pérez-Ramírez, Jinlong Gong, Nikita Dewangan, Kus Hidajat, Bruce C. Gates and Sibudjing Kawi
Chem. Soc. Rev., 2020, 49, 2937-3004
DOI: 10.1039/C9CS00713J, Review Article

Chemical Science, Royal Society of Chemistry

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Chemical Science HOT Articles: December

We are pleased to share a selection of our referee-recommended HOT articles for December. We hope you enjoy reading these articles and congratulations to all the authors whose articles are featured! As always, Chemical Science is free to read & download. You can find our full 2020 HOT article collection here.

 

Efficacy analysis of compartmentalization for ambient CH4 activation mediated by a RhII metalloradical in a nanowire array electrode
Benjamin S. Natinsky, Brandon J. Jolly, David M. Dumas and Chong Liu
Chem. Sci., 2021, Advance Article
DOI: 10.1039/D0SC05700B, Edge Article

Supertetrahedral polyanionic network in the first lithium phosphidoindate Li3InP2 – structural similarity to Li2SiP2 and Li2GeP2 and dissimilarity to Li3AlP2 and Li3GaP2
Tassilo M. F. Restle, Volker L. Deringer, Jan Meyer, Gabriele Raudaschl-Sieber and Thomas F. Fässler
Chem. Sci., 2021, Advance Article
DOI: 10.1039/D0SC05851C, Edge Article

One class classification as a practical approach for accelerating π–π co-crystal discovery
Aikaterini Vriza, Angelos B. Canaj, Rebecca Vismara, Laurence J. Kershaw Cook, Troy D. Manning, Michael W. Gaultois, Peter A. Wood, Vitaliy Kurlin, Neil Berry, Matthew S. Dyer and Matthew J. Rosseinsky
Chem. Sci., 2021, Advance Article
DOI: 10.1039/D0SC04263C, Edge Article

Fast reversible isomerization of merocyanine as a tool to quantify stress history in elastomers
Yinjun Chen, C. Joshua Yeh, Qiang Guo, Yuan Qi, Rong Long and Costantino Creton
Chem. Sci., 2021, Advance Article
DOI: 10.1039/D0SC06157C, Edge Article

Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures
Shan She, Weimin Xuan, Nicola L. Bell, Robert Pow, Eduard Garrido Ribo, Zoe Sinclair, De-Liang Long and Leroy Cronin
Chem. Sci., 2021, Advance Article
DOI: 10.1039/D0SC06098D, Edge Article

Enhanced voltammetric anion sensing at halogen and hydrogen bonding ferrocenyl SAMs
Robert Hein, Xiaoxiong Li, Paul D. Beer and Jason J. Davis
Chem. Sci., 2021, Advance Article
DOI: 10.1039/D0SC06210C, Edge Article

Magnesium–halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex
Alexander Friedrich, Jürgen Pahl, Jonathan Eyselein, Jens Langer, Nico van Eikema Hommes, Andreas Görling and Sjoerd Harder
Chem. Sci., 2021, Advance Article
DOI: 10.1039/D0SC06321E, Edge Article
Chemical Science, Royal Society of Chemistry

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Chemical Science welcomes new Associate Editor Ning Jiao

Ning Jiao, Chemical Science Associate Editor

We wish a very warm welcome to our new Chemical Science Associate Editor Professor Ning Jiao!

 

Ning Jiao received his bachelor’s degree in chemistry from Shandong University in 1999. He obtained his Ph.D. degree (2004) with Prof. Shengming Ma at Shanghai Institute of Organic Chemistry (SIOC). He then spent 2004-2006 as an Alexander von Humboldt Postdoctoral Fellow with Prof. Manfred T. Reetz at Max Planck Institute für Kohlenforschung. In 2007, he joined the faculty at Peking University as an Associate Professor, and was promoted to Full Professor in 2010, and is currently the Yangtze-river scholars distinguished Professor at Peking University. He is a Fellow of the Royal Society of Chemistry.

His current research efforts are focused on:

1)  New methodologies development in Atom-Incorporation Reactions mainly on oxygenation, nitrogenation, and halogenation reactions
2)  The first-row transition metal catalysis and the inert chemical bonds functionalization
3)  Bioactive compounds synthesis and drug discovery

 

Browse a selection of Ning’s work below:

Intramolecular Csp3–H/C–C bond amination of alkyl azides for the selective synthesis of cyclic imines and tertiary amines
Xiaojin Wen, Xinyao Li, Xiao Luo, Weijin Wang, Song Song and Ning Jiao
Chem. Sci., 2020, 11, 4482-4487
DOI: 10.1039/C9SC05522C, Edge Article

Cu-catalyzed oxygenation of alkene-tethered amides with O2via unactivated C[double bond, length as m-dash]C bond cleavage: a direct approach to cyclic imides
Junhua Li, Jialiang Wei, Bencong Zhu, Teng Wang and Ning Jiao
Chem. Sci., 2019, 10, 9099-9103
DOI: 10.1039/C9SC03175H, Edge Article

A metal-free desulfurizing radical reductive C–C coupling of thiols and alkenes
Qixue Qin, Weijing Wang, Cheng Zhang, Song Song and Ning Jiao
Chem. Commun., 2019, 55, 10583-10586
DOI: 10.1039/C9CC05378F, Communication

Efficient and practical synthesis of unsymmetrical disulfides via base-catalyzed aerobic oxidative dehydrogenative coupling of thiols
Xu Qiu, Xiaoxue Yang, Yiqun Zhang, Song Song and Ning Jiao
Org. Chem. Front., 2019, 6, 2220-2225
DOI: 10.1039/C9QO00239A, Research Article

 

Chemical Science, Royal Society of Chemistry

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