Zobrazeno 1 - 10
of 32
pro vyhledávání: '"Daniel W. Davies"'
Autor:
Wegood M. Awad, Daniel W. Davies, Daichi Kitagawa, Jad Mahmoud Halabi, Marieh B. Al-Handawi, Ibrahim Tahir, Fei Tong, Gonzalo Campillo-Alvarado, Alexander G. Shtukenberg, Tamador Alkhidir, Yuki Hagiwara, Mubarak Almehairbi, Linfeng Lan, Shodai Hasebe, Durga Prasad Karothu, Sharmarke Mohamed, Hideko Koshima, Seiya Kobatake, Ying Diao, Rajadurai Chandrasekar, Hongyu Zhang, Changquan Calvin Sun, Christopher Bardeen, Rabih O. Al-Kaysi, Bart Kahr, Panče Naumov
Publikováno v:
Chemical Society Reviews. 52:3098-3169
Molecular crystals have shown remarkable adaptability in response to a range of external stimuli. Here, we survey this emerging field and provide a critical overview of the experimental, computational and instrumental tools being used to design and a
Autor:
Alexander G. Squires, Daniel W. Davies, Sunghyun Kim, David O. Scanlon, Aron Walsh, Benjamin J. Morgan
Publikováno v:
Physical Review Materials. 6
Publikováno v:
Crystal Growth & Design. 21:3143-3147
We describe the use of perfluorophenyl embraces and boron coordination (B ← N) to enhance dichroism in single crystals of an asymmetric azo chromophore. Specifically, a tripod-shaped boron adduct c...
Autor:
Suyin Grass Wang, Daniel W. Davies, Prapti Kafle, Sang Kyu Park, Joseph Strzalka, Xiaozhang Zhu, Hyun-Joong Chung, Ying Diao, Yu-Sheng Chen, Dafei Yuan, Danielle L. Gray, Stefan C. B. Mannsfeld
Publikováno v:
Chemistry of Materials. 33:2466-2477
Polymorphism has emerged as an important design consideration in organic semiconductors (OSCs). Previously, in many OSCs, even small changes in molecular stacking can cause drastic changes to the o...
Autor:
Gregory J. Limburn, Daniel W. Davies, Neil Langridge, Zahida Malik, Benjamin A. D. Williamson, David O. Scanlon, Geoffrey Hyett
Four novel compositions containing chalcogenide layers, adopting the Ba3M2O5M′2Ch2 layered structure have been identified: Ba3Sc2O5Cu2Se2, Ba3Y2O5Cu2S2, Ba3Sc2O5Ag2Se2 and Ba3In2O5Ag2Se2. A comprehensive comparison of experimental and computational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cca538963c6dac62417b968d951a3970
https://eprints.soton.ac.uk/454885/
https://eprints.soton.ac.uk/454885/
Autor:
Lucas Q. Flagg, Christine K. Luscombe, Connor G. Bischak, Tahir Rehman, Chang-Zhi Li, Jonathan W. Onorato, Ramsess J. Quezada, Daniel W. Davies, David S. Ginger, Ying Diao, Kangrong Yan
Publikováno v:
Journal of the American Chemical Society. 142:7434-7442
We find that conjugated polymers can undergo reversible structural phase transitions during electrochemical oxidation and ion injection. We study poly[2,5-bis(thiophenyl)-1,4-bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)benzene] (PB2T-TEG), a conjugated p
Autor:
Daniel W. Davies, Sang Kyu Park, Stephen B. Shiring, Hyunjoong Chung, Prapti Kafle, Dafei Yuan, Joseph W. Strzalka, Ralph Weber, Xiaozhang Zhu, Brett M. Savoie, Ying Diao
Cooperativity is used by living systems to circumvent energetic and entropic barriers to yield highly efficient molecular processes. Cooperative structural transitions involve the simultaneous, concerted displacement of molecules in a crystalline mat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::944cce1d618b9877096f4214e504224e
https://doi.org/10.26434/chemrxiv-2021-9xghl
https://doi.org/10.26434/chemrxiv-2021-9xghl
Autor:
Rishabh Sanghavi, Prapti Kafle, Daniel W. Davies, Azzaya Khasbaatar, Ying Diao, Samdisha Punjani
Publikováno v:
ACS applied materialsinterfaces. 13(47)
Nanosizing has emerged as one of the most effective formulation strategies for enhancement of dissolution properties of active pharmaceutical ingredients (APIs). In addition to enhancing the specific area of the dissolving solids, nanosizing can also
While traditional crystallographic representations of structure play an important role in materials science, they are unsuitable for efficient machine learning. A range of effective numerical descriptors have been developed for molecular and crystal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15f0ea25c4ff8d8c4388c568c52dfbdc
https://doi.org/10.26434/chemrxiv-2021-4zs27-v2
https://doi.org/10.26434/chemrxiv-2021-4zs27-v2
While traditional crystallographic representations of structure play an important role in materials science, they are unsuitable for efficient machine learning. A range of effective numerical descriptors have been developed for molecular and crystal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f11ff90912bd4835371d9bf395ae0aa
https://doi.org/10.33774/chemrxiv-2021-4zs27-v2
https://doi.org/10.33774/chemrxiv-2021-4zs27-v2