Search Results - "Click KA"

Theoretical evidence of the CO ... reduction by a Mo-based complex: a DFT study based on the reaction force decomposed into four components.

Authors: Martínez-Araya JI; Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello (UNAB), Av. República 275, Santiago, 8370146, Región Metropolitana, Chile. jorge.martinez@unab.cl.

Source: Journal of molecular modeling [J Mol Model] 2025 Mar 12; Vol. 31 (4), pp. 112. Date of Electronic Publication: 2025 Mar 12.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE; PubMed not MEDLINE

Enhancing the photoelectrocatalytic performance of metal-free graphdiyne-based catalyst.

Authors: Li, Ming Wang, Hong-Juan Zhang, Chao et al.

Source: SCIENCE CHINA Chemistry. Aug2020, Vol. 63 Issue 8, p1040-1045. 6p.

Photo-driven water splitting photoelectrochemical cells by tandem organic dye sensitized solar cells with I−/I3− as redox mediator.

Authors: Zhang, Shicong Ye, Haonan Ding, Haoran et al.

Source: SCIENCE CHINA Chemistry. Feb2020, Vol. 63 Issue 2, p228-236. 9p.

Embedding biocatalysts in a redox polymer enhances the performance of dye-sensitized photocathodes in bias-free photoelectrochemical water splitting.

Authors: Cheng F Pavliuk O Hardt S et al.

Source: Nature communications [Nat Commun] 2024 Apr 13; Vol. 15 (1), pp. 3202. Date of Electronic Publication: 2024 Apr 13.

Publication Type: Journal Article

Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE; PubMed not MEDLINE

Prediction of band edge potentials and reaction products in photocatalytic copper and iron sulfides.

Authors: Fuentes JP Jadoun S Yepsen O et al.

Source: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology [Photochem Photobiol Sci] 2023 Aug; Vol. 22 (8), pp. 1855-1864. Date of Electronic Publication: 2023 Apr 30.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: England NLM ID: 101124451 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1474-9092 (Electronic) Linking ISSN: 1474905X NLM ISO Abbreviation: Photochem Photobiol Sci Subsets: MEDLINE; PubMed not MEDLINE

Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction.

Authors: McAllister J Bandeira NAG McGlynn JC et al.

Source: Nature communications [Nat Commun] 2019 Jan 22; Vol. 10 (1), pp. 370. Date of Electronic Publication: 2019 Jan 22.

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: PubMed not MEDLINE

A 3D visualization of the substituent effect : A brief analysis of two components of the operational formula of dual descriptor for open-shell systems.

Authors: Martínez-Araya JI Yepes D Jaque P

Source: Journal of molecular modeling [J Mol Model] 2017 Dec 27; Vol. 24 (1), pp. 31. Date of Electronic Publication: 2017 Dec 27.

Publication Type: Journal Article

Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: PubMed not MEDLINE