Zobrazeno 1 - 10
of 10
pro vyhledávání: '"P. G. Jambrina"'
Publikováno v:
Nature Communications, Vol 7, Iss 1, Pp 1-8 (2016)
Propensity for a given Λ-doublet level is a common feature in many chemical reactions, but has so far remained unexplained. Here, the authors show how to predict computationally those propensities and relate them to the reaction mechanism on concurr
Externí odkaz:
https://doaj.org/article/0bb3342f6fca4b8f898b4fc94b09001f
Autor:
Ángela-Patricia Hernández, Paula Díez, Pablo A. García, Martín Pérez-Andrés, Anzhela Veselinova, Pablo G. Jambrina, Arturo San Feliciano, David Díez, Manuel Fuentes, Mᵃ Ángeles Castro
Publikováno v:
Pharmaceutics, Vol 15, Iss 3, p 886 (2023)
New lignohydroquinone conjugates (L-HQs) were designed and synthesized using the hybridization strategy, and evaluated as cytotoxics against several cancer cell lines. The L-HQs were obtained from the natural product podophyllotoxin and some semisynt
Externí odkaz:
https://doaj.org/article/c9850c81e4d943de8dcea844f62c72a5
Autor:
Yolanda Pérez-Pertejo, José M. Escudero-Martínez, Rosa M. Reguera, Rafael Balaña-Fouce, Pablo A. García, Pablo G. Jambrina, Arturo San Feliciano, María-Ángeles Castro
Publikováno v:
International Journal for Parasitology: Drugs and Drug Resistance, Vol 11, Iss , Pp 70-79 (2019)
Leishmania is the aethiological agent responsible for the visceral leishmaniasis, a serious parasite-borne disease widely spread all over the World. The emergence of resistant strains makes classical treatments less effective; therefore, new and bett
Externí odkaz:
https://doaj.org/article/89a1aeed6c334008b744cdbeed6d6f6b
Publikováno v:
The Journal of Chemical Physics. 158
Reactive and elastic cross-sections, and rate coefficients, have been calculated for the S(1D)+ D2 (v=0, j=0) reaction using a modified hyperspherical quantum reactive scattering method. The considered collision energy ranges from the ultracold regim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::446416da3031d0fad7be1dd976d05c30
https://doi.org/10.1063/5.0147182
https://doi.org/10.1063/5.0147182
Autor:
Ángela-Patricia Hernández, Paula Díez, Pablo A. García, Martín Pérez-Andrés, Pablo Ortega, Pablo G. Jambrina, David Díez, María Ángeles Castro, Manuel Fuentes
Publikováno v:
Molecules, Vol 25, Iss 18, p 4258 (2020)
Natural products are the ideal basis for the design of novel efficient molecular entities. Podophyllotoxin, a naturally occurring cyclolignan, is an example of natural product which displays a high versatility from a biological activity point of view
Externí odkaz:
https://doaj.org/article/1807076948c4446892c9d46d0c0a7d92
Publikováno v:
The Journal of chemical physics. 154(12)
Shape resonances appear when the system is trapped in an internuclear potential well after tunneling through a barrier. They manifest as peaks in the collision energy dependence of the cross section (excitation function), and in many cases, their pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::01936df2814d31522438cb68665b6acd
https://pubmed.ncbi.nlm.nih.gov/33810659
https://pubmed.ncbi.nlm.nih.gov/33810659
Publikováno v:
The journal of physical chemistry. A. 123(37)
In the past decade, ring polymer molecular dynamics (RPMD) has emerged as a very efficient method to determine thermal rate coefficients for a great variety of chemical reactions. This work presents the application of this methodology to study the O(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::e33d624738bb31182e23e6964e08b9a4
https://pubmed.ncbi.nlm.nih.gov/31461272
https://pubmed.ncbi.nlm.nih.gov/31461272
Publikováno v:
Physical chemistry chemical physics : PCCP. 19(25)
In spite of its importance in the Hg atmospheric chemistry, the dynamics of the Hg + Br
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::1aae31f22e3b4718edcf216c16a5ec77
https://pubmed.ncbi.nlm.nih.gov/28608897
https://pubmed.ncbi.nlm.nih.gov/28608897
Publikováno v:
Chemical Science
The amplitude of the interference pattern in the angular distributions diminishes with increasing rotational excitation due to the incoherent sum over the helicity reactant states associated with different mechanisms.
Differential cross sections
Differential cross sections
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::24ee0609fd30efa9ef72f1c7f9cdc816
https://pubmed.ncbi.nlm.nih.gov/28791109
https://pubmed.ncbi.nlm.nih.gov/28791109
Publikováno v:
The Journal of chemical physics. 130(18)
Cumulative reaction probabilities (CRPs) have been calculated by accurate (converged, close coupling) quantum mechanical (QM), quasiclassical trajectory (QCT), and statistical QCT (SQCT) methods for the H(+) + H(2) and H(+) + D(2) reactions at collis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::4bb82710107fb9a2a8e167e368cf64f8
https://pubmed.ncbi.nlm.nih.gov/19449917
https://pubmed.ncbi.nlm.nih.gov/19449917