Zobrazeno 1 - 10
of 30
pro vyhledávání: '"termodynamiikka"'
Publikováno v:
The Journal of Physical Chemistry Letters. 13:9928-9933
We have trained the Extreme Minimum Learning Machine (EMLM) machine learning model to predict chemical potentials of individual conformers of multifunctional organic compounds containing carbon, hydrogen, and oxygen. The model is able to predict chem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::94ee1eba6b820b0ca1b72472dbddc8dd
https://doi.org/10.1021/acs.jpclett.2c02612
https://doi.org/10.1021/acs.jpclett.2c02612
Autor:
Zijun Li, Noora Hyttinen, Miika Vainikka, Olli-Pekka Tikkasalo, Siegfried Schobesberger, Taina Yli-Juuti
Saturation vapor pressure (psat) is an important thermodynamic property regulating the gas-to-particle partitioning of organic compounds in the atmosphere. Low-volatility organic compounds (LVOCs), with sufficiently low psat values, primarily stay in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a4b71ea885a44b12ddd9f73cd98031a7
https://acp.copernicus.org/articles/23/6863/2023/
https://acp.copernicus.org/articles/23/6863/2023/
Autor:
Adib Tavakoli, Kunal J. Lulla, Tuomas Puurtinen, Ilari Maasilta, Eddy Collin, Laurent Saminadayar, Olivier Bourgeois
Publikováno v:
Physical Review B. 105
The specific heat of phonon cavities is investigated in order to analyze the effect of phonon confinement on thermodynamic properties. The specific heat of freestanding very thin SiN membranes in the low-dimensional limit is measured down to very low
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ac6ef78306eccdd86d41ca6cf119e81
https://doi.org/10.1103/physrevb.105.224313
https://doi.org/10.1103/physrevb.105.224313
Autor:
Christoph Räuber, Jas S. Ward, Markus Albrecht, Elisabeth Isaak, Julia Baums, David Van Craen, Christian Göb, A. Carel N. Kwamen, Roland Fröhlich, Gerhard Raabe, Iris M. Oppel, Marcel Schlottmann, Kari Rissanen, Benjamin P. Joseph, Rakesh Puttreddy, Ali Massomi, Li Shen
Publikováno v:
Chemistry (Weinheim an Der Bergstrasse, Germany)
The dissociation of hierarchically formed dimeric triple lithium bridged triscatecholate titanium(IV) helicates with hydrocarbyl esters as side groups is systematically investigated in DMSO. Primary alkyl, alkenyl, alkynyl as well as benzyl esters ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::00abd38fb9b7dcf02db89d8b0f5e2d3a
http://europepmc.org/articles/PMC7027801
http://europepmc.org/articles/PMC7027801
Publikováno v:
Current Opinion in Electrochemistry. 36:101110
Electrochemical interfaces present an extraordinarily complex reaction environment and several, often counter-acting, interactions contribute to rate constants of electrocatalytic reactions. We compile a short review on how electrode potential, solve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0deb47d882c2ea9067fc1da236c7b68c
https://doi.org/10.1016/j.coelec.2022.101110
https://doi.org/10.1016/j.coelec.2022.101110
Autor:
Elina Kalenius, Mika Pettersson, Maija Nissinen, Andreas Johansson, Romain Chevigny, Efstratios D. Sitsanidis, Johanna Schirmer, David K. Smith, Carmen C. Piras
A transient organo-gelation system with spatiotemporal dynamic properties is described. Here, the solvent actively controls a complex set of equilibria that underpin the dynamic assembly event. The observed metastability is due to the in situ formati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::edcdc86cc9ede7939a26fc94bf34e9a0
https://eprints.whiterose.ac.uk/178401/1/d1cc04021a.pdf
https://eprints.whiterose.ac.uk/178401/1/d1cc04021a.pdf
The thermodynamic Iron Alloy Database (IAD) has been developed since 2000 to provide consistent thermodynamic data for modeling the solidification of steels. This work presents the carbon containing thermodynamic descriptions of the Fe–Cr–Cu–Mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2423::8827d7e897b853453adb7dad5949c6ac
http://urn.fi/urn:isbn:9789526229300
http://urn.fi/urn:isbn:9789526229300
CO2 adsorption and activation on a catalyst are key elementary steps for CO2 conversion to various valuable products. In the present computational study, we screened different Cu–ZrO2 interface structures and analyzed the influence of the interface
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______1222::e60fb45a0a001b7132610b511caa7aef
http://urn.fi/URN:NBN:fi:jyu-202203242040
http://urn.fi/URN:NBN:fi:jyu-202203242040
In the atmosphere, water in all phases is ubiquitous and plays important roles in catalyzing atmospheric chemical reactions, participating in cluster formation and affecting the composition of aerosol particles. Direct measurements of water-containin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______1222::be6069fe46356090fa466ce3a7cb761c
http://urn.fi/URN:NBN:fi:jyu-202106143704
http://urn.fi/URN:NBN:fi:jyu-202106143704
The Thermodynamic Iron Alloy Database (IAD) has been developed since 2000 to provide consistent thermodynamic data for modeling solidification of steels. This work presents the chromium, copper, molybdenum and nickel containing thermodynamic descript
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od______2423::3bd3cd0f30ee48b8bd1fcdb672f5660b
http://urn.fi/urn:isbn:9789526227092
http://urn.fi/urn:isbn:9789526227092