Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Juan Angel de Gracia Triviño"'
Publikováno v:
ACS Catalysis. 13:1270-1279
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c70ee433a9d506148a149394d2aafae5
https://doi.org/10.1021/acscatal.2c04185
https://doi.org/10.1021/acscatal.2c04185
To break the scaling of the number of qubits with the size of the basis set, one can divide the molecular space into active and inactive, also known as complete active space methods. Nevertheless, more than the active space selection is needed for ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::77af02361b8d1b3b7efeff450580aea0
https://doi.org/10.26434/chemrxiv-2023-nh571
https://doi.org/10.26434/chemrxiv-2023-nh571
Publikováno v:
Topics in Catalysis. 65:383-391
Intermolecular radical coupling (also interaction of two metal centers I2M) is one of the main mechanisms for O–O bond formation in water oxidation catalysts. For Ru(bda)L2 (H2bda = 2,2′-bipyridine-6,6′-dicarboxylate, L = pyridine or similar ni
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aed446530d6590a058ba1f9956b5cce6
https://doi.org/10.1007/s11244-021-01492-3
https://doi.org/10.1007/s11244-021-01492-3
Publikováno v:
The Journal of Physical Chemistry Letters. 11:7383-7387
In order to combine the advantages of molecular catalysts with the stability of solid-state catalysts, hybrid systems with catalysts immobilized on carbon nanotubes are prominent candidates. Here we explore our recent mechanistic proposal for Ru(tda)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f47f93c2932496e62e53dc35241dd885
https://doi.org/10.1021/acs.jpclett.0c02009
https://doi.org/10.1021/acs.jpclett.0c02009
The industrial revolution thrived our society to great technological advancement and a shift from an agrarian to an industrial society. Besides this fact, the side effect has been the development of a society highly dependent on energy, and the main
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______260::b2836bd49ec09fe33a49654238efffcc
http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-318186
http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-318186
Publikováno v:
Journal of the American Chemical Society. 141(26)
Carboxylate groups have diverse functionalities in ligands of transition metal catalysts. Here we present a conceptually different function of the carboxylates: the oxide relay. It functions by providing an intramolecular nucleophilic oxygen close to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::19821e4f5306d2cb6b134679460ca674
https://pubmed.ncbi.nlm.nih.gov/31190538
https://pubmed.ncbi.nlm.nih.gov/31190538