Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Jordi Toda"'
Autor:
German Sastre, Jordi Toda
Publikováno v:
The Journal of Physical Chemistry C. 122:7885-7897
A molecular dynamics study has been carried out on the diffusion of trimethylbenzene (TMB), toluene, and xylene molecules in transalkylation of TMB and toluene in UWY zeolite, containing crossing 10-ring and 12-ring channels. Two models of UWY have b
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::641aeca0d6ef9ae775b962123b31f32e
https://doi.org/10.1021/acs.jpcc.7b10407
https://doi.org/10.1021/acs.jpcc.7b10407
Autor:
Jordi Toda, Rui Afonso, José R. B. Gomes, Michael Fischer, Christopher Campbell, Miguel Jorge
Publikováno v:
Computational Materials Science. 173:109438
The adsorptions of ethane, ethene, and ethyne over the coordinatively unsaturated sites (CUS) of copper (II) benzene-1,3,5-tricarboxylate (CuBTC) were studied by means of density functional theory (DFT), using both cluster or periodic models. Exchang
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::191aabc86e7183539638e3b5443e456b
https://doi.org/10.1016/j.commatsci.2019.109438
https://doi.org/10.1016/j.commatsci.2019.109438
Autor:
Jordi Toda Calderón
Publikováno v:
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname
instname
En las últimas décadas, la aprobación de nuevas leyes medioambientales ha obligado a la industria petroquimica a adaptarse mediante el uso de sustancias menos nocivas para el medio ambiente. La necesidad de reciclar sustancias que ya no están per
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::29433c8ce087715d4eab57c7f2329560
https://hdl.handle.net/10251/99566
https://hdl.handle.net/10251/99566
Autor:
Raed Abudawoud, Mohamed Elanany, Avelino Corma, Ibrahim M. Al-Zahrani, German Sastre, Jordi Toda
Publikováno v:
Molecular Simulation. 41:1438-1448
A molecular dynamics study of diffusion of p-xylene and o-xylene has been performed over three different pure silica 10-ring zeolites, MFI, SFG and TUN. The shape selective properties of the frameworks of these three materials have been tested using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aa2b17022acb6d1c8a6b288e3a084126
https://doi.org/10.1080/08927022.2015.1047370
https://doi.org/10.1080/08927022.2015.1047370
Publikováno v:
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname
instname
A molecular dynamics study of the diffusion of trimethylbenzene (TMB) and xylene molecules involved in toluene and TMB transalkylation reaction has been performed over 6 different pure-silica zeolites, containing 10- and 12-ring channels: BOG, MSE, I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ec8f7ab118837a657337d8fb047b9f81
https://hdl.handle.net/10251/81558
https://hdl.handle.net/10251/81558
Publikováno v:
RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia
instname
instname
[EN] Computational screening throughout a database containing similar to 138000 metal-organic frameworks (MOFs) has been performed to select candidate structures for hydrogen storage. A total of 231 structures (of which 79 contain paddle-wheel units)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ee9df888e13bef6d7afb0b73161dc6d
http://hdl.handle.net/10251/86849
http://hdl.handle.net/10251/86849
Publikováno v:
Repositório Científico de Acesso Aberto de Portugal
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Repositório Científico de Acesso Aberto de Portugal (RCAAP)
instacron:RCAAP
Simultaneous adsorption of two water molecules on open metal sites of the HKUST-1 metal-organic framework (MOF), modeled with a Cu-2(HCOO)(4) cluster, was studied by means of density functional theory (DFT) and second-order Moller-Plesset (MP2) appro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::590f0fe1a2b14e5139043ea2c0beaa7a
Autor:
José Gomes, Fajín, José L. C., Cordeiro, M. Natalia D. S., Cátia Andreia Silva Teixeira, Paula Alexandra de Carvalho Gomes, Pillai, Renjith S., Gerard Novell-Leruth, Jordi Toda, Miguel Ângelo da Silva Jorge
Publikováno v:
University of Strathclyde
CIÊNCIAVITAE
CIÊNCIAVITAE
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::55e52f0106da48e14c8e2803f00e1c94
https://pureportal.strath.ac.uk/en/publications/80d0f378-06f8-4af5-8b7f-8f4915f3dc6f
https://pureportal.strath.ac.uk/en/publications/80d0f378-06f8-4af5-8b7f-8f4915f3dc6f