Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Iñigo Iribarren"'
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 20, Iss 1, Pp 2668-2681 (2024)
Carbon capture and utilisation (CCU) technologies offer a compelling strategy to mitigate rising atmospheric carbon dioxide levels. Despite extensive research on the CO2 insertion into epoxides to form cyclic carbonates, the stereochemical implicatio
Externí odkaz:
https://doaj.org/article/01e77f74d13b4f85966adce1c834d516
Publikováno v:
Tetrahedron Chem, Vol 5, Iss , Pp 100035- (2023)
This perspective intends to cover the vast field of asymmetric organocatalysis and its evolution during the last ten years. This work has evaluated the corresponding timeline of the progression of the field concerning the main synthetic approaches as
Externí odkaz:
https://doaj.org/article/bca2b5100455490baccc1b2a3cf3fbd7
Autor:
Iñigo Iribarren, Dr. Goar Sánchez‐Sanz, Prof. José Elguero, Prof. Ibon Alkorta, Dr. Cristina Trujillo
Publikováno v:
ChemistryOpen, Vol 10, Iss 8, Pp 724-730 (2021)
Abstract The formation of molecular hydrogen as well as the possibility of using coinage metal hydrides as a prospective complex to produce hydrogen was presented in this work. Therefore, the reactions involving the interaction between two coinage me
Externí odkaz:
https://doaj.org/article/04e2d7f4bc9a40bb9e98df3cff6de146
Publikováno v:
Molecules, Vol 25, Iss 4, p 798 (2020)
A computational study of the iodide discrimination by different neutral and cationic iodotriazole halogen bonding hosts was carried out by means of Density Functional Theory. The importance of the size of the scaffold was highlighted and its impact o
Externí odkaz:
https://doaj.org/article/73408a10a1ca474b974d737a8ca8b636
Autor:
Iñigo Iribarren, CRISTINA TRUJILLO
Publikováno v:
Journal of Chemical Information and Modeling. 62:5568-5580
In this study, a complete exploration of the conformational space of different phase-transfer catalysts by means of computational method benchmarking is presented. For this particular research work, only the most significant and relevant conformation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2da205383a8a7250df60d720b75092b5
https://doi.org/10.1021/acs.jcim.2c00934
https://doi.org/10.1021/acs.jcim.2c00934
Publikováno v:
Chemistry – A European Journal. 29
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::65f51410291cf6bb7ff1337f9d989c34
https://doi.org/10.1002/chem.202300716
https://doi.org/10.1002/chem.202300716
Publikováno v:
Chemistry – A European Journal. 29
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0e222b3652570b110f8d1117d30e6a0b
https://doi.org/10.1002/chem.202203577
https://doi.org/10.1002/chem.202203577
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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The Journal of Physical Chemistry. a
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The Journal of Physical Chemistry. a
In the present paper, we report the quantitative evaluation of the electron density shift (EDS) maps within different complexes. Values associated with the total EDS maps exhibited good correlation with different quantities such as interaction energi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4068beefad9302f9ec1a1a3000ffbf24
https://doi.org/10.1021/acs.jpca.1c00830
https://doi.org/10.1021/acs.jpca.1c00830
Publikováno v:
Chemistry (Weinheim an der Bergstrasse, Germany). 28(58)
It is clear that the field of organocatalysis is continuously expanding during the last decades. With increasing computational capacity and new techniques, computational methods have provided a more economic approach to explore different chemical sys
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88a60c59b2ae16ad1366c0e3b47e696a
https://pubmed.ncbi.nlm.nih.gov/35792702
https://pubmed.ncbi.nlm.nih.gov/35792702
Publikováno v:
ChemistryOpen
The Front Cover shows the studied process of releasing the hydrogen stored in coinage metals hydrides. The possibility of reversibly storing hydrogen using these metallic compounds as reactants to produce H(2) gas and metallic dimers has been investi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f643b60a34a68d4a73845a9a467bbf3
https://europepmc.org/articles/PMC8340058/
https://europepmc.org/articles/PMC8340058/
