المؤلفون: Ni, Shaofei

المساهمون: University/Department: Universitat Rovira i Virgili. Departament de Química Física i Inorgànica

مرشدي الرسالة: Maseras Cuní, Feliu

المصدر: TDX (Tesis Doctorals en Xarxa)

مصطلحات موضوعية: Transferencia d'electro unic, Catalisis homogenia, Mecanismes DFT, Transferencia electron unico, Catalisis homogenea, Mecanismos DFT, Single Electron Transfer, Homogeneous catalysis, DFT Mechanism, Ciències

وصف الملف: application/pdf

URL الوصول: http://hdl.handle.net/10803/668402

المؤلفون: Sciortino, Giuseppe, Maseras, Feliu^{Aff1, IDs00214023030442_cor2}

المصدر: Theoretical Chemistry Accounts: Theory, Computation, and Modeling. 142(10)

المؤلفون: Guangchao Liang, Min Zhang, Charles Edwin Webster

المصدر: Inorganics, Vol 10, Iss 6, p 69 (2022)

مصطلحات موضوعية: nitrous oxide, Ru-H, oxygen-atom transfer, DFT mechanism, Inorganic chemistry, QD146-197

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2304-6740/10/6/69; https://doaj.org/toc/2304-6740

URL الوصول: https://doaj.org/article/07c1cb44816f460789ac22bd01d52804

المؤلفون: Maria Drosou, Fotios Kamatsos, George Ioannidis, Athanasios Zarkadoulas, Christiana A. Mitsopoulou, Constantina Papatriantafyllopoulou, Demeter Tzeli

المصدر: Catalysts, Vol 10, Iss 11, p 1302 (2020)

مصطلحات موضوعية: photocatalytic hydrogen evolution, copper diimine, photocatalyst, electrocatalyst, DFT mechanism, Chemical technology, TP1-1185, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2073-4344/10/11/1302; https://doaj.org/toc/2073-4344

URL الوصول: https://doaj.org/article/1be1c991c54a497a8599b97105a7f3a4

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المؤلفون: Ion ARSENE

المصدر: Studia Universitatis Moldaviae: Stiinte reale si ale naturii, Vol 0, Iss 6 (86) (2016)

مصطلحات موضوعية: modeling, DFT, mechanism, hydrogen peroxide, catalase, dinuclear complexes, transition states, Biology (General), QH301-705.5, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://ojs.studiamsu.eu/index.php/real-nature/article/view/308; https://doaj.org/toc/1814-3237; https://doaj.org/toc/1857-498X

URL الوصول: https://doaj.org/article/2f324e82aa844bf4b8053341c7eb4502

المؤلفون: Daniele Sassone, Sergio Bocchini, Marco Fontana, Clara Salvini, Giancarlo Cicero, Michele Re Fiorentin, Francesca Risplendi, Giulio Latini, M. Amin Farkhondehfal, Fabrizio Pirri, Juqin Zeng

المصدر: Applied Energy. 324:119743

مصطلحات موضوعية: General Energy, Molecular catalysis Electrochemistry CO2 activation Imidazole Modelling-guided synthesis ZIF-8 DFT Mechanism, Mechanical Engineering, Building and Construction, Management, Monitoring, Policy and Law

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::37d1c93e3526741fc533bd995206b431
https://doi.org/10.1016/j.apenergy.2022.119743

المؤلفون: Hočevar, Brigita, Grilc, M., Hus, Matej, 1988, Likozar, B.

المصدر: Chemical Engineering Journal. 359:1339-1351

مصطلحات موضوعية: Aldol condensation, Biomass moities, Aliphatic oxygenates, Catalytic hydrotreatment, DFT mechanism, Reaction kinetics modeling

URL الوصول: https://research.chalmers.se/publication/507605

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المؤلفون: Christiana A. Mitsopoulou, Constantina Papatriantafyllopoulou, Maria Drosou, Demeter Tzeli, Fotios Kamatsos, Athanasios Zarkadoulas, George Ioannidis

المصدر: Catalysts
Volume 10
Issue 11
Catalysts, Vol 10, Iss 1302, p 1302 (2020)

مصطلحات موضوعية: copper diimine, chemistry.chemical_element, 010402 general chemistry, Electrochemistry, Photochemistry, Electrocatalyst, lcsh:Chemical technology, 01 natural sciences, Catalysis, lcsh:Chemistry, chemistry.chemical_compound, Quinoxaline, electrocatalyst, Reactivity (chemistry), lcsh:TP1-1185, Physical and Theoretical Chemistry, Diimine, 010405 organic chemistry, photocatalyst, Copper, 0104 chemical sciences, Turnover number, chemistry, lcsh:QD1-999, photocatalytic hydrogen evolution, DFT mechanism

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a38599ea812d4517a32485ea82b76b6