XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy

JOURNAL ARTICLE published 2023 in Chemical Science

Research funded by Ministerio de Asuntos Económicos y Transformación Digital, Gobierno de España (RyC-2016-20301) | Gobierno del Principado de Asturias (AYUD/2021/51036) | Ministerio de Ciencia e Innovación (PGC2021-125518NB-I00,TED2021-129457B-I00)

Authors: Alastair J. A. Price | Alberto Otero-de-la-Roza | Erin R. Johnson

Co–Gd phosphonate complexes as magnetic refrigerants

JOURNAL ARTICLE published 2011 in Chem. Sci.

Authors: Yan-Zhen Zheng | Marco Evangelisti | Richard E. P. Winpenny

Plasmonic O₂ dissociation and spillover expedite selective oxidation of primary C–H bonds

JOURNAL ARTICLE published 2021 in Chemical Science

Authors: Hao Li | Huan Shang | Fuze Jiang | Xingzhong Zhu | Qifeng Ruan | Lizhi Zhang | Jing Wang

An expanded halogen bonding scale using astatine

JOURNAL ARTICLE published 2021 in Chemical Science

Research funded by Agence Nationale de la Recherche (ANR-11-EQPX-0004,ANR-11-LABX-18-01,ANR-16-IDEX-0007)

Authors: Lu Liu | Seyfeddine Rahali | Rémi Maurice | Cecilia Gomez Pech | Gilles Montavon | Jean-Yves Le Questel | Jérôme Graton | Julie Champion | Nicolas Galland

State-resolved infrared spectrum of the protonated water dimer: revisiting the characteristic proton transfer doublet peak

JOURNAL ARTICLE published 2022 in Chemical Science

Research funded by National Science Foundation (OAC-2019144) | Deutsche Forschungsgemeinschaft (LA 4442/1-1,390677874,MA 1547/19)

Authors: Henrik R. Larsson | Markus Schröder | Richard Beckmann | Fabien Brieuc | Christoph Schran | Dominik Marx | Oriol Vendrell

Lipase mimetic cyclodextrins

JOURNAL ARTICLE published 2021 in Chemical Science

Research funded by Human Frontier Science Program (RGY0066/2017) | National Institutes of Health (DP2DK111801)

Authors: Youngjun Lee | Neal K. Devaraj

Pd(ii)-catalyzed β- and γ-C-(sp³)–H dienylation with allenyl acetates

JOURNAL ARTICLE published 2023 in Chemical Science

Research funded by Science and Engineering Research Board (CRG/2019/005059)

Authors: Rahul K. Shukla | Akshay M. Nair | Chandra M. R. Volla

Emission color tuning and white-light generation based on photochromic control of energy transfer reactions in polymer micelles

JOURNAL ARTICLE published 2016 in Chemical Science

Research funded by National Science Foundation (CHE-1049860) | Vetenskapsrådet (622-2010-280) | Ministerio de Economía y Competitividad (CTQ2015-65439-R)

Authors: Magnus Bälter | Shiming Li | Masakazu Morimoto | Sicheng Tang | Jordi Hernando | Gonzalo Guirado | Masahiro Irie | Françisco M. Raymo | Joakim Andréasson

Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by Japan Society for the Promotion of Science (22F21756,JP22KF0240,JP23H01924,JP23H02622) | Ministry of Education, Culture, Sports, Science and Technology (JPMXP1020230325,JPMXP1020230327,JPMXP1122714694)

Authors: Stefan Hervø-Hansen | Daoyang Lin | Kento Kasahara | Nobuyuki Matubayasi

Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach

JOURNAL ARTICLE published 2015 in Chemical Science

Research funded by Welch Foundation (F 1781) | CPRIT (R 1118)

Authors: Zhongxing Huang | Quynh P. Sam | Guangbin Dong

Singlet fission in TIPS-anthracene thin films

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by Centre of Excellence in Exciton Science (CE17100026)

Authors: Damon M. de Clercq | Miles I. Collins | Nicholas P. Sloane | Jiale Feng | Dane R. McCamey | Murad J. Y. Tayebjee | Michael P. Nielsen | Timothy W. Schmidt

Electrocatalytic CO₂ reduction to formate by a cobalt phosphino–thiolate complex

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by Basic Energy Sciences (DE-SC0019236) | National Science Foundation (CHE-2018740)

Authors: Jeremy A. Intrator | David A. Velazquez | Sicheng Fan | Ellie Mastrobattista | Christine Yu | Smaranda C. Marinescu

Axially-chiral boramidine for detailed (chir)optical studies

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung (200020-184607,200020-184843,200020-207539)

Authors: Nidal Saleh | Estefanía Sucre-Rosales | Francesco Zinna | Céline Besnard | Eric Vauthey | Jérôme Lacour

Dynamic structural evolution of MgO-supported palladium catalysts: from metal to metal oxide nanoparticles to surface then subsurface atomically dispersed cations

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by Basic Energy Sciences (DE-FG02-04ER15513,DE-AC02-76SF00515,DE-SC0020320) | Office of Naval Research (N00014-22-1-2160,N00014-20-1-2043)

Authors: Yizhen Chen | Rachita Rana | Yizhi Zhang | Adam S. Hoffman | Zhennan Huang | Bo Yang | Fernando D. Vila | Jorge E. Perez-Aguilar | Jiyun Hong | Xu Li | Jie Zeng | Miaofang Chi | Coleman X. Kronawitter | Haiyan Wang | Simon R. Bare | Ambarish R. Kulkarni | Bruce C. Gates

Fine-regulation of gradient gate-opening in nanoporous crystals for sieving separation of ternary C3 hydrocarbons

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by Education Department of Henan Province (2023GGJS131,22A150050) | National Natural Science Foundation of China (22171135) | Ministry of Education of the People's Republic of China (IRT-17R54) | Natural Science Foundation of Jiangsu Province (BK20231269)

Authors: Shuang Liu | Yuhang Huang | Jingmeng Wan | Jia-Jia Zheng | Rajamani Krishna | Yi Li | Kai Ge | Jie Tang | Jingui Duan

Hypocretenolides: collective total syntheses and activities toward metastatic colon cancer

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by National Natural Science Foundation of China (82073695,82273794) | Nankai University (63233023) | China Postdoctoral Science Foundation (2023M731790)

Authors: Bolin Chen | Xijing Zhang | Yufen Yang | Dongdong Xu | Qianwei Wu | Shibo Wang | Shiqi Bao | Xuemei Zhang | Yahui Ding | Liang Wang | Yue Chen

Ultrafast symmetry-breaking charge separation in Perylenemonoimide-embedded multichromophores: impact of regioisomerism

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by Science and Engineering Research Board (CRG/2020/000301,CRG/2021/003981)

Authors: Rupam Roy | Sakshi Chawla | Vikas Sharma | Arun K. Pal | Yogita Silori | Ayan Datta | Arijit K. De | Apurba Lal Koner

Wetting-enhanced adhesion of photo-polymerized supramolecular adhesives for both smooth and rough surfaces

JOURNAL ARTICLE published 2024 in Chemical Science

Research funded by National Natural Science Foundation of China (22273098,22373003,22103002,52033001) | Fundamental Research Funds for the Central Universities (WK2480000007)

Authors: Mengyuan Zhao | Jiang Wu | Fanxuan Zeng | Zhi Dong | Xinyi Shen | Zan Hua | Guangming Liu

Exploiting the versatile alkyne-based chemistry for expanding the applications of a stable triphenylmethyl organic radical on surfaces

JOURNAL ARTICLE published 2020 in Chemical Science

Research funded by Ministerio de Ciencia, Innovación y Universidades (FANCYCTQ2016-80030-R,SEV-2015-0496) | Generalitat de Catalunya (2017SGR918) | Deutsche Forschungsgemeinschaft (CA852/11-1) | Consejo Superior de Investigaciones Científicas (LINKA20128)

Authors: J. Alejandro de Sousa | Francesc Bejarano | Diego Gutiérrez | Yann R. Leroux | Ewa Malgorzata Nowik-Boltyk | Tobias Junghoefer | Erika Giangrisostomi | Ruslan Ovsyannikov | Maria Benedetta Casu | Jaume Veciana | Marta Mas-Torrent | Bruno Fabre | Concepció Rovira | Núria Crivillers

End-functionalized glycopolymers as mimetics of chondroitin sulfate proteoglycans

JOURNAL ARTICLE published 2010 in Chemical Science

Authors: Song-Gil Lee | Joshua M. Brown | Claude J. Rogers | John B. Matson | Chithra Krishnamurthy | Manish Rawat | Linda C. Hsieh-Wilson