Zobrazeno 1 - 10
of 19
pro vyhledávání: '"reaktiomekanismit"'
Autor:
Jussi Ahokas, Timur Nikitin, Justyna Krupa, Iwona Kosendiak, Rui Fausto, Maria Wierzejewska, Jan Lundell
Publikováno v:
Photochem; Volume 3; Issue 2; Pages: 197-208
Ultraviolet-induced photodissociation and photo-isomerization of the three most stable conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a low-temperature solid argon matrix using FTIR spectroscopy and employing laser radiation with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::074b80ba999b66b450102b95b0641ff2
https://doi.org/10.3390/photochem3020013
https://doi.org/10.3390/photochem3020013
Publikováno v:
Journal of Chemical Theory and Computation. 18:6134-6147
Various approaches have been proposed to include the effect of pH in molecular dynamics (MD) simulations. Among these, the λ-dynamics approach proposed by Brooks and co-workers [Kong, X.; Brooks III, C. L. J. Chem. Phys.1996, 105, 2414−2423] can b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da331f805a41829c439648ad22eeeaf0
https://doi.org/10.1021/acs.jctc.2c00517
https://doi.org/10.1021/acs.jctc.2c00517
Autor:
Taimisto, Marjaana, Bajorek, Tom, Rautiainen, J. Mikko, Pakkanen, Tapani A., Oilunkaniemi, Raija, Laitinen, Risto S.
The pathways to the formation of the series of [RuCl2(CO)2(ERR′)2] (E = S, Se, Te; R, R′ = Me, Ph) complexes from [RuCl2(CO)3]2 and ERR′ have been explored experimentally in THF and CH2Cl2, and computationally by PBE0-D3/def2-TZVP calculations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______1222::234954640dcb9ef69cb0935bd6a77632
http://urn.fi/URN:NBN:fi:jyu-202208174206
http://urn.fi/URN:NBN:fi:jyu-202208174206
Autor:
Riuttamäki, Saara, Laszkó, Gergely, Madarász, Ádam, Földes, Tamás, Pápai, Imre, Bannykh, Anton, Pihko, Petri M.
We demonstrate herein the capacity of simple carboxylate salts – tetrametylammonium and tetramethylguanidinium pivalate – to act as catalysts in the isomerization of β,γ-unsaturated thioesters to α,β-unsaturated thioesters. The carboxylate ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______1222::5467b1e4b9afd7479fc197a7b2602020
http://urn.fi/URN:NBN:fi:jyu-202208174161
http://urn.fi/URN:NBN:fi:jyu-202208174161
Autor:
Dmitry Yu. Murzin, Erfan Behravesh, Marko Melander, Johan Wärnå, Tapio Salmi, Karoliina Honkala
Selective alcohol dehydrogenation on heterogeneous catalysts is a key industrial reaction for production of aldehydes, ketones, and carboxylic compounds. Design of catalysts with improved activity and selectivity requires understanding of the reactio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ed0daa2cafa9398ec4538d468060ecf2
http://urn.fi/URN:NBN:fi:jyu-202103011802
http://urn.fi/URN:NBN:fi:jyu-202103011802
Autor:
Raimo Alén, Susanna Kuitunen, Tapani Vuorinen, Vesa Nykänen, Kyösti Ruuttunen, Ville Alopaeus, Olesya Fearon
Publikováno v:
Fearon, O 2020, ' Detailed modeling of the kraft pulping chemistry: carbohydrate reactions ', AIChE Journal, vol. 66, no. 8, e16252 . https://doi.org/10.1002/aic.16252
The article introduces a detailed model for carbohydrate chemistry in kraft pulping. This article is continuation to the modeling work carried out for hot water extraction and chemical pulp bleaching. The model includes galactoglucomannan, xylan, and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::802ee5989395237cce72ab8f7e92e81c
http://urn.fi/URN:NBN:fi:jyu-202004282948
http://urn.fi/URN:NBN:fi:jyu-202004282948
Autor:
Saarenpää, Topi
Energy production is a significant source for nitrogen oxide emissions. Nitrogen oxides have numerous negative effects on human health and environment which is why reducing the emissions of nitrogen oxides is important. The nitrogen oxide emissions f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______4853::36dd7efaa824173b8831917115a97b7c