Zobrazeno 1 - 10
of 20
pro vyhledávání: '"R. Boussessi"'
Autor:
R. Boussessi, María Luisa Senent
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
10 pags., 5 figs., 8 tabs.
The far infrared spectra of three deuterated isotopologues of ethylene glycol, CH2OD–CH2OD, CH2OD–CH2OH and CH2OH–CH2OD, where the latter two species differ in their intramolecular hydrogen-bonding arrangement, a
The far infrared spectra of three deuterated isotopologues of ethylene glycol, CH2OD–CH2OD, CH2OD–CH2OH and CH2OH–CH2OD, where the latter two species differ in their intramolecular hydrogen-bonding arrangement, a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d259f888a3dd0a6735054fb4940a9e96
https://pubmed.ncbi.nlm.nih.gov/33063802
https://pubmed.ncbi.nlm.nih.gov/33063802
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
The NH, SO and CO van der Waals complexes with imidazole are characterized using highly correlated ab initio methods. The aim is to compare the behavior of greenhouse effect gases and pollutants in the presence of imidazole for predicting the ability
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06872da21a90833e1d33c3b9f20b024b
https://doi.org/10.1016/j.comptc.2016.11.005
https://doi.org/10.1016/j.comptc.2016.11.005
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
10 pags., 8 figs., 3 tabs.
Methane and sulfur hexafluoride contribute significantly to the greenhouse effect. The aim of this research is to accomplish a theoretical study of the capture and the storage of these two gases and water in Zeolitic I
Methane and sulfur hexafluoride contribute significantly to the greenhouse effect. The aim of this research is to accomplish a theoretical study of the capture and the storage of these two gases and water in Zeolitic I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61c0a2361329cdffef8fc1d667f6a9c0
http://hdl.handle.net/10261/208386
http://hdl.handle.net/10261/208386
Autor:
R. Boussessi, María Luisa Senent
Publikováno v:
Proceedings of the 71st International Symposium on Molecular Spectroscopy.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f1e69685f867a7225f5d930173403f4f
https://doi.org/10.15278/isms.2016.wa07
https://doi.org/10.15278/isms.2016.wa07
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
10 pags., 8 figs., 7 tabs.
Electronic structure calculations are applied to the study of the properties of the Zeolite Imidazolate Frameworks (ZIFs) for gas capture of the greenhouse effect gases CO, CH and SF. Van-der-Walls complexes of these a
Electronic structure calculations are applied to the study of the properties of the Zeolite Imidazolate Frameworks (ZIFs) for gas capture of the greenhouse effect gases CO, CH and SF. Van-der-Walls complexes of these a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::060a415d605407e5779c626e15d5dc52
http://hdl.handle.net/10261/152194
http://hdl.handle.net/10261/152194
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
8 pags.; 3 figs.; 5 tabs.
© 2015 American Chemical Society. Highly correlated ab initio methods (CCSD(T) and RCCSD(T)-F12) are employed for the spectroscopic characterization of the gas phase of dimethyl carbonate (DMC) at low temperatures. DMC
© 2015 American Chemical Society. Highly correlated ab initio methods (CCSD(T) and RCCSD(T)-F12) are employed for the spectroscopic characterization of the gas phase of dimethyl carbonate (DMC) at low temperatures. DMC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::15ce686c0d9cabae0cfbf81d0a0bae5d
https://pubmed.ncbi.nlm.nih.gov/25826231
https://pubmed.ncbi.nlm.nih.gov/25826231
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
instname
11 pags., 6 figs., 10 tabs.
An elaborate variational procedure of reduced dimensionality based on explicitly correlated coupled clusters calculations is applied to understand the far infrared spectrum of ethylene-glycol, an astrophysical species
An elaborate variational procedure of reduced dimensionality based on explicitly correlated coupled clusters calculations is applied to understand the far infrared spectrum of ethylene-glycol, an astrophysical species
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24cf86c8c8bc008169eedf0ca5f7710e
https://doi.org/10.1063/1.4947088
https://doi.org/10.1063/1.4947088
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