Zobrazeno 1 - 10
of 54
pro vyhledávání: '"Renana Gershoni‐Poranne"'
Autor:
Sakthi Raje, Subhash Garhwal, Katarzyna Młodzikowska-Pieńko, Tofayel Sheikh Mohammad, Ron Raphaeli, Natalia Fridman, Linda J. W. Shimon, Renana Gershoni-Poranne, Graham de Ruiter
Publikováno v:
JACS Au, Vol 4, Iss 11, Pp 4234-4248 (2024)
Externí odkaz:
https://doaj.org/article/ad2165c7b0ba4ae2b1458f6a0bbadeed
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 20, Iss 1, Pp 1817-1830 (2024)
Polycyclic aromatic systems (PASs) are pervasive compounds that have a substantial impact in chemistry and materials science. Although their specific structure–property relationships hold the key to the design of new functional molecules, a detaile
Externí odkaz:
https://doaj.org/article/54beea2951b2487980812eb8de521241
Publikováno v:
Scientific Data, Vol 11, Iss 1, Pp 1-11 (2024)
Abstract Polycyclic aromatic systems are highly important to numerous applications, in particular to organic electronics and optoelectronics. High-throughput screening and generative models that can help to identify new molecules to advance these tec
Externí odkaz:
https://doaj.org/article/96b24bb647814755b7aa18e7d4d7a061
Autor:
Renana Gershoni-Poranne, Peter Chen
Publikováno v:
CHIMIA, Vol 72, Iss 9 (2018)
Externí odkaz:
https://doaj.org/article/f63d76b39c68421bb077e94972ab3617
Publikováno v:
CHIMIA, Vol 72, Iss 6 (2018)
Externí odkaz:
https://doaj.org/article/50a785c1a90c427f9cd68c9386bb1b50
Publikováno v:
Angewandte Chemie International Edition.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2996432a49d49433eaf1935a7ec2a17b
https://doi.org/10.1002/anie.202305289
https://doi.org/10.1002/anie.202305289
Publikováno v:
Journal of Chemical Information and Modeling. 62:3704-3713
Chemical databases are an essential tool for data-driven investigation of structure-property relationships and design of novel functional compounds. We introduce the first phase of the COMPAS Project – a COMputational database of Polycyclic Aromati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4666610640b84dcc41916b62e4434e3b
https://doi.org/10.1021/acs.jcim.2c00503
https://doi.org/10.1021/acs.jcim.2c00503
Autor:
Tomer Weiss, Luca Cosmo, Eduardo Mayo Yanes, Sabyasachi Chakraborty, Alex M. Bronstein, Renana Gershoni-Poranne
The holy grail of materials science is de novo molecular design -- i.e., the ability to engineer molecules with desired characteristics. Recently, this goal has become increasingly achievable thanks to developments such as equivariant graph neural ne
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db68a5d04900c037d6b8dfa9aa112090
https://doi.org/10.26434/chemrxiv-2023-z8ltp
https://doi.org/10.26434/chemrxiv-2023-z8ltp
Autor:
Matthew Pennachio, Zheng Zhou, Zheng Wei, Alexandra Tsybizova, Renana Gershoni-Poranne, Marina A. Petrukhina
Publikováno v:
Organometallics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7bd313e559b5111b76f40289f640f706
https://doi.org/10.1021/acs.organomet.2c00583
https://doi.org/10.1021/acs.organomet.2c00583
Autor:
Eno Paenurk, Renana Gershoni-Poranne, Anthony T. Wong, Ranjeesh Thenarukandiyil, Graham de Ruiter, Raanan Carmieli, Natalia Fridman, Amir Karton, Gabriel Ménard
Publikováno v:
Inorganic Chemistry
Metal–ligand cooperation is an important aspect in earth-abundant metal catalysis. Utilizing ligands as electron reservoirs to supplement the redox chemistry of the metal has resulted in many new exciting discoveries. Here, we demonstrate that iron
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::33cccd1e44f528cb2ba7ef06a1c07b64
https://doi.org/10.1021/acs.inorgchem.1c02925
https://doi.org/10.1021/acs.inorgchem.1c02925