Zobrazeno 1 - 10
of 86
pro vyhledávání: '"Elena Jakubikova"'
Publikováno v:
Inorganic Chemistry. 62:6576-6585
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4f5ab6b3ba2c0fea763bc7f78209c440
https://doi.org/10.1021/acs.inorgchem.2c03193
https://doi.org/10.1021/acs.inorgchem.2c03193
Autor:
Emigdio E. Turner, Douglas J. Breen, Gilbert Kosgei, Laura A. Crandall, Gregory M. Curtin, Elena Jakubikova, Ryan M. O’Donnell, Christopher J. Ziegler, Jeffrey J. Rack
Publikováno v:
Inorganic Chemistry. 61:18842-18849
We have prepared a series of complexes of the type [Ir
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c6f36ecaec501d6effa27e6fe094eee
https://doi.org/10.1021/acs.inorgchem.2c02269
https://doi.org/10.1021/acs.inorgchem.2c02269
Autor:
Gregory M. Curtin, Elena Jakubikova
Publikováno v:
Inorganic Chemistry. 61:18850-18860
Over the past decade, iron(II) polypyridines have gained a lot of attention as potential chromophores and sensitizers due to the low cost and high abundance of iron. Unfortunately, most iron(II) polypyridines are poor chromophores since their initial
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::598d2221ca226c59210e77ffa85e1adf
https://doi.org/10.1021/acs.inorgchem.2c02362
https://doi.org/10.1021/acs.inorgchem.2c02362
Autor:
Moumita Ghosh, Sarah E. Braley, Roman Ezhov, Harrison Worster, Juan A. Valdez-Moreira, Yaroslav Losovyj, Elena Jakubikova, Yulia N. Pushkar, Jeremy M. Smith
Publikováno v:
Journal of the American Chemical Society. 144:17824-17831
We report an iron-based graphite-conjugated electrocatalyst (GCC-FeDIM) that combines the well-defined nature of homogeneous molecular electrocatalysts with the robustness of a heterogeneous electrode. A suite of spectroscopic methods, supported by t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::99cde89ebc5f2cd267a4a94a0324954e
https://doi.org/10.1021/jacs.2c03487
https://doi.org/10.1021/jacs.2c03487
Autor:
Magnus Pauly, Mawuli Deegbey, Landon Keller, Scott McGuigan, Golnaz Dianat, Jian Cheng Wong, Corban G.F. Murphey, Bo Shang, Hailiang Wang, James Cahoon, Renato Sampaio, Yosuke Kanai, Gregory Parsons, Elena Jakubikova, Paul Maggard
Inherently disordered structures of carbon nitrides have hindered an atomic level tunability and understanding of their catalytic reactivity. Herein, coordination of copper cations within a crystalline carbon nitride, i.e., poly(triazine imide) or CN
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c12bc55c751317371b46bfbd5315d6e
https://doi.org/10.26434/chemrxiv-2023-117xm
https://doi.org/10.26434/chemrxiv-2023-117xm
Autor:
Samudra Amunugama, Eyram Asempa, Ramesh Chandra Tripathi, Dakshika Wanniarachchi, Habib Baydoun, Peter Hoffmann, Elena Jakubikova, Cláudio N. Verani
Publikováno v:
Dalton Transactions. 51:8425-8436
A ruthenium-containing metallosurfactant [Ru(terpy-X)(SQ)Cl]PF6 displays extensive orbital mixing, and allows a low-lying LUMO primarily associated with the SQ ligand to engage in directional electron transport in Au|LB 1|Au junctions.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::01896bd67ad141e9e35435b8d8525669
https://doi.org/10.1039/d2dt00938b
https://doi.org/10.1039/d2dt00938b
Publikováno v:
The Journal of Physical Chemistry A. 125:9725-9735
The concept of a potential energy surface (PES) is one of the most important concepts in modern chemistry. A PES represents the relationship between the chemical system's energy and its geometry (i.e., atom positions) and can provide useful informati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dfc97abcf78e9f2351e95000db0c7cf8
https://doi.org/10.1021/acs.jpca.1c06812
https://doi.org/10.1021/acs.jpca.1c06812
Autor:
Bradley J. Gibbons, Shaunak M. Shaikh, Stefan Ilic, Xiaozhou Yang, Amanda J. Morris, Elena Jakubikova
Publikováno v:
The Journal of Physical Chemistry C. 125:22998-23010
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95d2372dcaff2f8879b5b96d98c34a24
https://doi.org/10.1021/acs.jpcc.1c06427
https://doi.org/10.1021/acs.jpcc.1c06427
Electronic structure calculations on small systems such as H$_2$, H$_2$O, LiH, and BeH$_2$ with chemical accuracy are still a challenge for the current generation of the noisy intermediate-scale quantum (NISQ) devices. One of the reasons is that due
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93d4c19ca221fe11ed5b8df2f0e4fc3f
http://arxiv.org/abs/2211.06471
http://arxiv.org/abs/2211.06471
Publikováno v:
Journal of Chemical Theory and Computation. 17:5673-5683
The potential energy surface (PES) describes the energy of a chemical system as a function of its geometry and is a fundamental concept in modern chemistry. A PES provides much useful information about the system, including the structures and energie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b57f3bd8196a073fc2edbec21750ec2
https://doi.org/10.1021/acs.jctc.1c00569
https://doi.org/10.1021/acs.jctc.1c00569