In silico design to enhance the barrier height for magnetization reversal in Dy(iii) sandwich complexes by stitching them under the umbrella of corannulene (English)
Free access
- New search for: Sharma, Tanu
- New search for: Singh, Mukesh Kumar
- New search for: Gupta, Radhika
- New search for: Khatua, Munmun
- New search for: Rajaraman, Gopalan
- New search for: Sharma, Tanu
- New search for: Singh, Mukesh Kumar
- New search for: Gupta, Radhika
- New search for: Khatua, Munmun
- New search for: Rajaraman, Gopalan
In:
Chemical Science
;
12
, 34
;
11506-11514
;
2021
- Article (Journal) / Electronic Resource
-
Title:In silico design to enhance the barrier height for magnetization reversal in Dy(iii) sandwich complexes by stitching them under the umbrella of corannulene
-
Contributors:Sharma, Tanu ( author ) / Singh, Mukesh Kumar ( author ) / Gupta, Radhika ( author ) / Khatua, Munmun ( author ) / Rajaraman, Gopalan ( author )
-
Published in:Chemical Science ; 12, 34 ; 11506-11514
-
Publisher:
- New search for: The Royal Society of Chemistry
-
Publication date:2021-09-01
-
Size:9 pages
-
ISSN:
-
Coden:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Source:
Table of contents – Volume 12, Issue 34
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 11239
-
Front cover| 2021
- 11240
-
Inside front cover| 2021
- 11241
-
Contents list| 2021
- 11252
-
Supramolecular chemistry in lipid bilayer membranesBickerton, Laura E. / Johnson, Toby G. / Kerckhoffs, Aidan / Langton, Matthew J. et al. | 2021
- 11275
-
Temperature artifacts in protein structures bias ligand-binding predictionsBradford, Shanshan Y. C. / El Khoury, Léa / Ge, Yunhui / Osato, Meghan / Mobley, David L. / Fischer, Marcu et al. | 2021
- 11294
-
Oxa-spirocycles: synthesis, properties and applicationsFominova, Kateryna / Diachuk, Tara / Granat, Dmitry / Savchuk, Tara / Vilchynskyi, Vladyslav / Svitlychnyi, Oleksiy / Meliantsev, Vladyslav / Kovalchuk, Igor / Litskan, Eduard / Levterov, Vadym V. et al. | 2021
- 11306
-
Nanoporous ultra-high-entropy alloys containing fourteen elements for water splitting electrocatalysisCai, Ze-Xing / Goou, Hiromi / Ito, Yoshikazu / Tokunaga, Tomoharu / Miyauchi, Masahiro / Abe, Hideki / Fujita, Takeshi et al. | 2021
- 11316
-
Decarboxylative 1,4-carbocyanation of 1,3-enynes to access tetra-substituted allenes via copper/photoredox dual catalysisChen, Ya / Wang, Junjie / Lu, Yixin et al. | 2021
- 11322
-
Direct decarboxylation of ten-eleven translocation-produced 5-carboxylcytosine in mammalian genomes forms a new mechanism for active DNA demethylationFeng, Yang / Chen, Juan-Juan / Xie, Neng-Bin / Ding, Jiang-Hui / You, Xue-Jiao / Tao, Wan-Bing / Zhang, Xiaoxue / Yi, Chengqi / Zhou, Xiang / Yuan, Bi-Feng et al. | 2021
- 11330
-
Stereoselective rhodium-catalyzed 2-C–H 1,3-dienylation of indoles: dual functions of the directing groupZhai, Yizhan / Zhang, Xue / Ma, Shengming et al. | 2021
- 11338
-
Acid-catalysed liquid-to-solid transitioning of arylazoisoxazole photoswitchesKortekaas, Luuk / Simke, Julian / Arndt, Niklas B. / Böckmann, Marcu / Doltsinis, Nikos L. / Ravoo, Bart Jan et al. | 2021
- 11347
-
Resolving the ultrafast dynamics of the anionic green fluorescent protein chromophore in waterJones, Chey M. / List, Nanna H. / Martínez, Todd J. et al. | 2021
- 11364
-
Fitting quantum machine learning potentials to experimental free energy data: predicting tautomer ratios in solutionWieder, Marcu / Fass, Josh / Chodera, John D. et al. | 2021
- 11394
-
‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosineEagling, Louise / Leonard, Daniel J. / Schwarz, Maria / Urruzuno, Iñaki / Boden, Grace / Wailes, J. Steven / Ward, John W. / Clayden, Jonathan et al. | 2021
- 11399
-
Combining palladium and ammonium halide catalysts for Morita–Baylis–Hillman carbonates of methyl vinyl ketone: from 1,4-carbodipoles to ion pairsYang, Yang / Zhu, Bo / Zhu, Lei / Jiang, Ying / Guo, Chun-Ling / Gu, Jing / Ouyang, Qin / Du, Wei / Chen, Ying-Chun et al. | 2021
- 11406
-
Electrostatic regulation of blue copper sitesBím, Daniel / Alexandrova, Anastassia N. et al. | 2021
- 11414
-
Synthesis of C-acyl furanosides via the cross-coupling of glycosyl esters with carboxylic acidsWei, Yongliang / Lam, Jenny / Diao, Tianning et al. | 2021
- 11420
-
Solvent-controlled photocatalytic divergent cyclization of alkynyl aldehydes: access to cyclopentenones and dihydropyranolsZhu, Haiqian / Zheng, Hanliang / Zhang, Junhua / Feng, Jian / Kong, Lichun / Zhang, Fang / Xue, Xiao-Song / Zhu, Gangguo et al. | 2021
- 11427
-
Ruthenium(ii)-catalyzed regioselective direct C4- and C5-diamidation of indoles and mechanistic studiesDevkota, Shreedhar / Kim, Suyeon / Yoo, Seok Yeol / Mohandoss, Sonaimuthu / Baik, Mu-Hyun / Lee, Yong Rok et al. | 2021
- 11438
-
Unprecedented polycyclic polyprenylated acylphloroglucinols with anti-Alzheimer's activity from St. John's wortGuo, Yi / Huang, Fang / Sun, Weiguang / Zhou, Yuan / Chen, Chunmei / Qi, Changxing / Yang, Jing / Li, Xiao-Nian / Luo, Zengwei / Zhu, Hucheng et al. | 2021
- 11447
-
Pyrimidine-directed metal-free C–H borylation of 2-pyrimidylanilines: a useful process for tetra-coordinated triarylborane synthesisRej, Supriya / Das, Amrita / Chatani, Naoto et al. | 2021
- 11455
-
High five! Methyl probes at five ring positions of phenylalanine explore the hydrophobic core dynamics of zinc finger miniproteinsHorx, Philip / Geyer, Armin et al. | 2021
- 11464
-
An evolution-inspired strategy to design disulfide-rich peptides tolerant to extensive sequence manipulationZha, Jun / Li, Jinjing / Fan, Shihui / Duan, Zengping / Zhao, Yibing / Wu, Chuanliu et al. | 2021
- 11473
-
Machine learning of solvent effects on molecular spectra and reactionsGastegger, Michael / Schütt, Kristof T. / Müller, Klaus-Robert et al. | 2021
- 11484
-
Influence of stereochemistry on the activity of rapadocin, an isoform-specific inhibitor of the nucleoside transporter ENT1Wang, Yuefan / Peng, Hanjing / Guo, Zufeng / Ullman, Brett R. / Yamamoto, Kana / Hong, Sam Y. / Liu, Jun O. et al. | 2021
- 11490
-
Ternary hybrid CuO-PMA-Ag sub-1 nm nanosheet heterostructuresLiu, Junli / Wang, Mingxin / Dipalo, Maria C. / Zhuang, Jing / Shi, Wenxiong / Wang, Xun et al. | 2021
- 11495
-
Accelerating the insertion reactions of (NHC)Cu–H via remote ligand functionalizationSpeelman, Amy L. / Tran, Ba L. / Erickson, Jeremy D. / Vasiliu, Monica / Dixon, David A. / Bullock, R. Morri et al. | 2021
- 11506
-
In silico design to enhance the barrier height for magnetization reversal in Dy(iii) sandwich complexes by stitching them under the umbrella of corannuleneSharma, Tanu / Singh, Mukesh Kumar / Gupta, Radhika / Khatua, Munmun / Rajaraman, Gopalan et al. | 2021
- 11515
-
CO/light dual-activatable Ru(ii)-conjugated oligomer agent for lysosome-targeted multimodal cancer therapeuticsYang, Min / Zhao, Hao / Zhang, Ziqi / Yuan, Qiong / Feng, Qian / Duan, Xinrui / Wang, Shu / Tang, Yanli et al. | 2021
- 11525
-
An umpolung-enabled copper-catalysed regioselective hydroamination approach to α-amino acidsNishino, Soshi / Miura, Masahiro / Hirano, Koji et al. | 2021
- 11538
-
Broadband measurement of true transverse relaxation rates in systems with coupled protons: application to the study of conformational exchangeKiraly, Peter / Dal Poggetto, Guilherme / Castañar, Laura / Nilsson, Mathia / Deák, Andrea / Morris, Gareth A. et al. | 2021
- 11548
-
Amide-bridged conjugated organic polymers: efficient metal-free catalysts for visible-light-driven CO2 reduction with H2O to COWen, Fan / Zhang, Fengtao / Wang, Zhen / Yu, Xiaoxiao / Ji, Guipeng / Li, Dongyang / Tong, Shengrui / Wang, Yingbin / Han, Buxing / Liu, Zhimin et al. | 2021
- 11554
-
Accurate heteronuclear distance measurements at all magic-angle spinning frequencies in solid-state NMR spectroscopyLiang, Lixin / Ji, Yi / Zhao, Zhenchao / Quinn, Caitlin M. / Han, Xiuwen / Bao, Xinhe / Polenova, Tatyana / Hou, Guangjin et al. | 2021
- 11565
-
State-selective frustration as a key driver of allosteric pluripotencyByun, Jung Ah / VanSchouwen, Bryan / Parikh, Nishi / Akimoto, Madoka / McNicholl, Eric Tyler / Melacini, Giuseppe et al. | 2021
- 11576
-
Degradation and regeneration of Fe–Nx active sites for the oxygen reduction reaction: the role of surface oxidation, Fe demetallation and local carbon microporosityXia, Dongsheng / Yu, Chenchen / Zhao, Yinghao / Wei, Yinping / Wu, Haiyan / Kang, Yongqiang / Li, Jia / Gan, Lin / Kang, Feiyu et al. | 2021
- 11585
-
Molecular crystalline capsules that release their contents by lightNagai, Akira / Nishimura, Ryo / Hattori, Yohei / Hatano, Eri / Fujimoto, Ayako / Morimoto, Masakazu / Yasuda, Nobuhiro / Kamada, Kenji / Sotome, Hikaru / Miyasaka, Hiroshi et al. | 2021
- 11593
-
“Click-switch” – one-step conversion of organic azides into photochromic diarylethenes for the generation of light-controlled systemsBecht, Steffy / Sen, Reena / Büllmann, Simon M. / Dreuw, Andrea / Jäschke, Andre et al. | 2021
- 11605
-
Back cover| 2021