Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Diana Rodríguez-Linares"'
Autor:
Maikel Y. Ballester, Marco Antonio Chaer Nascimento, Diana Rodríguez-Linares, Gabriel N. Freitas, Juan de Dios Garrido
Publikováno v:
The Journal of Physical Chemistry A. 119:8734-8743
This work reports CCSD(T)/aug-cc-pV(T+d)Z ab initio calculations for the lower energy region of the ground electronic state of the HSO2 system. Optimized geometries, total energies, zero-point vibrational energies, frequencies, complete basis set ext
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aab9d91ede11ad201d35dfeb12395563
https://doi.org/10.1021/acs.jpca.5b04554
https://doi.org/10.1021/acs.jpca.5b04554
Autor:
Manuel Rapado-Paneque, Yuri Aguilera-Corrales, Rolando Quert-Alvarez, Noel Ferro, Diana Rodríguez-Linares, Edelsys Codorniu-Hernández
Publikováno v:
Journal of Physical Organic Chemistry. 22:527-532
Structural changes in pure citronellol after exposure to different doses of gamma radiation were elucidated by spectroscopic techniques and molecular modelling methods. The citronellol samples were irradiated in an MPX-γ30 installation (60Co, E = 1.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b545a0d37d7d3cedfe3676e56cd1baa9
https://doi.org/10.1002/poc.1521
https://doi.org/10.1002/poc.1521
Autor:
Juliana-Andrea Murillo-López, Edelsys Codorniu-Hernández, Ederley Velez-Ortíz, Diana Rodríguez-Linares, Paola-Andrea Villegas-Bolaños, Jairo Quijano-Tobón
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 902:41-48
Solvent effects on the thermolysis of methyl-3-hydroxypropanoate in m -xylene were studied through the SCIPCM model (MP2/6-31G(d)) and the Multiple Minima Hypersurfaces Procedure (MMH). Important information about the kinetic and thermodynamic behavi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::03c121a6ff41ff46a4aa1ffa323a31a1
https://doi.org/10.1016/j.theochem.2009.02.007
https://doi.org/10.1016/j.theochem.2009.02.007
Autor:
Diana Rodríguez-Linares, Gabriel N. Freitas, Maikel Y. Ballester, Marco Antonio Chaer Nascimento, Juan D. Garrido
Publikováno v:
Journal of Physical Chemistry A; Aug2015, Vol. 119 Issue 32, p8734-8743, 10p