Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Tomofumi, Ogawa"'
Autor:
Mickaele Bonneau, Christophe Lavenn, Jia-Jia Zheng, Alexandre Legrand, Tomofumi Ogawa, Kunihisa Sugimoto, Francois-Xavier Coudert, Regis Reau, Shigeyoshi Sakaki, Ken-ichi Otake, Susumu Kitagawa
Publikováno v:
Nature Chemistry. 14:816-822
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8642ff22d5c4e6e3e7a951f7b2443570
https://doi.org/10.1038/s41557-022-00928-x
https://doi.org/10.1038/s41557-022-00928-x
Autor:
Mickaele, Bonneau, Christophe, Lavenn, Jia-Jia, Zheng, Alexandre, Legrand, Tomofumi, Ogawa, Kunihisa, Sugimoto, Francois-Xavier, Coudert, Regis, Reau, Shigeyoshi, Sakaki, Ken-Ichi, Otake, Susumu, Kitagawa
Publikováno v:
Nature chemistry. 14(7)
The safe storage of flammable gases, such as acetylene, is essential for current industrial purposes. However, the narrow pressure (P) and temperature range required for the industrial use of pure acetylene (100 P 200 kPa at 298 K) and its explosive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::bd7f00db8a0e032635b973cf1c9946b5
https://pubmed.ncbi.nlm.nih.gov/35449219
https://pubmed.ncbi.nlm.nih.gov/35449219
Autor:
Christophe Lavenn, Alexandre Legrand, Ken-ichi Otake, François-Xavier Coudert, Susumu Kitagawa, Regis Réau, Tomofumi Ogawa, Mickaele Bonneau, Kunihisa Sugimoto
Safe managing and storage of explosive gas, such as acetylene, is essential for industries. The practical pressure and temperature regime is quite narrow for acetylene, and the optimization by complete release of saturated gas remains challenging to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6dadb4721c54799efff2649925a46436
https://doi.org/10.21203/rs.3.rs-102861/v1
https://doi.org/10.21203/rs.3.rs-102861/v1
Publikováno v:
Chemical Physics Letters. 511:219-223
In this work, we explore the validity of the application of the constrained density functional theory (CDFT) to the study of intramolecular charge transfer reactions. Accordingly, we carry out single-point calculation using CDFT and MRMP2 at each poi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4db4a3b1cbb32f56f41ea74a0f994a4e
https://doi.org/10.1016/j.cplett.2011.06.064
https://doi.org/10.1016/j.cplett.2011.06.064