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2001 1
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2007 1
2008 1
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2011 3
2012 6
2013 7
2014 8
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2017 26
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Page 1
Cyclopentannulated Dihydrotetraazapentacenes.
Heckershoff R, Maier S, Wurm T, Biegger P, Brödner K, Krämer P, Hoffmann MT, Eberle L, Stein J, Rominger F, Rudolph M, Freudenberg J, Dreuw A, Hashmi ASK, Bunz UHF. Heckershoff R, et al. Chemistry. 2022 Feb 24;28(12):e202104203. doi: 10.1002/chem.202104203. Epub 2022 Feb 2. Chemistry. 2022. PMID: 35020239 Free PMC article.
The optoelectronic properties are quite similar, whereas the packing motifs differ dramatically. Control experiments and quantum chemical calculations were performed to investigate the mechanism of the reaction and the selectivity of the silyl shift....
The optoelectronic properties are quite similar, whereas the packing motifs differ dramatically. Control experiments and quantum chem …
Harnessing Brightness in Naphthalene Diimides.
Maniam S, Higginbotham HF, Bell TDM, Langford SJ. Maniam S, et al. Chemistry. 2019 May 23;25(29):7044-7057. doi: 10.1002/chem.201806008. Epub 2019 Mar 18. Chemistry. 2019. PMID: 30675936 Review.
The monomeric naphthalene diimide is weakly fluorescent, however through various methods of core-derivatisation, it can be developed to be highly fluorescent and further functionalised to add utility. In this review, we highlight recent advances made in naphthalene diimide …
The monomeric naphthalene diimide is weakly fluorescent, however through various methods of core-derivatisation, it can be developed to be h …
Current Advances in Semiconductor Nanomaterial-Based Photoelectrochemical Biosensing.
Zang Y, Fan J, Ju Y, Xue H, Pang H. Zang Y, et al. Chemistry. 2018 Sep 20;24(53):14010-14027. doi: 10.1002/chem.201801358. Epub 2018 Jul 4. Chemistry. 2018. PMID: 29687506 Review.
Semiconductor nanomaterials with excellent photoelectric activity have played a vital role in the construction of PEC sensing platform. Thus, this Review introduces the recent advances of semiconductor nanomaterials-based PEC analysis, and describes the typical PEC sensing …
Semiconductor nanomaterials with excellent photoelectric activity have played a vital role in the construction of PEC sensing platform. Thus …
Ab initio quantum chemistry with neural-network wavefunctions.
Hermann J, Spencer J, Choo K, Mezzacapo A, Foulkes WMC, Pfau D, Carleo G, Noé F. Hermann J, et al. Nat Rev Chem. 2023 Oct;7(10):692-709. doi: 10.1038/s41570-023-00516-8. Epub 2023 Aug 9. Nat Rev Chem. 2023. PMID: 37558761 Review.
Specifically, we focus on quantum Monte Carlo methods that use neural-network ansatzes to solve the electronic Schrodinger equation, in first and second quantization, computing ground and excited states and generalizing over multiple nuclear configurations. Although still …
Specifically, we focus on quantum Monte Carlo methods that use neural-network ansatzes to solve the electronic Schrodinger equation, …
Edge-Functionalized Nanographenes.
Sekiya R, Haino T. Sekiya R, et al. Chemistry. 2021 Jan 4;27(1):187-199. doi: 10.1002/chem.202003370. Epub 2020 Oct 22. Chemistry. 2021. PMID: 32808344 Review.
Nanographenes (NGs) have recently emerged as new carbon materials. Their nanoscale size results in a size-dependent quantum confinement effect, opening the band gap by a few eV. This energy gap allows NGs to be applied as optical materials. ...It is hoped that this review …
Nanographenes (NGs) have recently emerged as new carbon materials. Their nanoscale size results in a size-dependent quantum confineme …
Exploiting chemistry and molecular systems for quantum information science.
Wasielewski MR, Forbes MDE, Frank NL, Kowalski K, Scholes GD, Yuen-Zhou J, Baldo MA, Freedman DE, Goldsmith RH, Goodson T 3rd, Kirk ML, McCusker JK, Ogilvie JP, Shultz DA, Stoll S, Whaley KB. Wasielewski MR, et al. Nat Rev Chem. 2020 Sep;4(9):490-504. doi: 10.1038/s41570-020-0200-5. Epub 2020 Jul 7. Nat Rev Chem. 2020. PMID: 37127960 Review.
The power of chemistry to prepare new molecules and materials has driven the quest for new approaches to solve problems having global societal impact, such as in renewable energy, healthcare and information science. In the latter case, the intrinsic quantum nature of the e …
The power of chemistry to prepare new molecules and materials has driven the quest for new approaches to solve problems having global societ …
The periodic table and the physics that drives it.
Schwerdtfeger P, Smits OR, Pyykkö P. Schwerdtfeger P, et al. Nat Rev Chem. 2020 Jul;4(7):359-380. doi: 10.1038/s41570-020-0195-y. Epub 2020 Jun 29. Nat Rev Chem. 2020. PMID: 37127952 Review.
The underlying fundamental theory to describe the interactions between particles comes from quantum theory or, more specifically, from quantum field theory and its inherent symmetries. ...In this Perspective, we critically analyse the periodic table of elements and …
The underlying fundamental theory to describe the interactions between particles comes from quantum theory or, more specifically, fro …
Unexcited Light Source Imaging for Biomedical Applications.
Ding R, Liu D, Feng Y, Liu H, Ji H, He L, Liu S. Ding R, et al. Chemistry. 2023 Sep 12;29(51):e202301689. doi: 10.1002/chem.202301689. Epub 2023 Aug 8. Chemistry. 2023. PMID: 37401914 Review.
Unexcited light source imaging technologies, such as chemiluminescence imaging, bioluminescence imaging and afterglow imaging have attracted great attention in recent years because of the absence of excitation light interference in their application and the advantages of high sen …
Unexcited light source imaging technologies, such as chemiluminescence imaging, bioluminescence imaging and afterglow imaging have attracted …
Molecular excited states through a machine learning lens.
Dral PO, Barbatti M. Dral PO, et al. Nat Rev Chem. 2021 Jun;5(6):388-405. doi: 10.1038/s41570-021-00278-1. Epub 2021 May 20. Nat Rev Chem. 2021. PMID: 37118026 Review.
However, such simulations are notoriously challenging to perform with quantum mechanical methods. Advances in machine learning open many new avenues for assisting molecular excited-state simulations. ...We overview a broad range of machine learning applications in e …
However, such simulations are notoriously challenging to perform with quantum mechanical methods. Advances in machine learning …
Exploring chemical compound space with quantum-based machine learning.
von Lilienfeld OA, Müller KR, Tkatchenko A. von Lilienfeld OA, et al. Nat Rev Chem. 2020 Jul;4(7):347-358. doi: 10.1038/s41570-020-0189-9. Epub 2020 Jun 12. Nat Rev Chem. 2020. PMID: 37127950 Review.
Rational design of compounds with specific properties requires understanding and fast evaluation of molecular properties throughout chemical compound space - the huge set of all potentially stable molecules. Recent advances in combining quantum-mechanical calculatio …
Rational design of compounds with specific properties requires understanding and fast evaluation of molecular properties throughout chemical …
236 results