Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Jose M. Lucas"'
Autor:
Josep Maria Bofill, Antonio Aguilar-Navarro, Jaime de Andres, Jose M. Lucas, Margarita Albertí
Publikováno v:
International Journal of Quantum Chemistry. 111:493-504
A theoretical study of the potential energy surface (PES) for the decomposition of the i-C3H cation has been done at RHF/MP2 level. In a previous study on the Li+ + i-C3H7Cl system under single collision conditions, the authors measured the cross sec
Publikováno v:
Inflammation & Allergy-Drug Targets. 6:117-126
Sublingual immunotherapy (SLIT) was first attempted more than a century ago. After a long parenthesis probably related to the lack of impressive clinical results, the advances on allergen quantification and characterization, together with the improve
Autor:
Antonio Aguilar, Margarita Albert, Tomas Romero, Jose M. Lucas, Juan M. Bocanegra, J. Sogas, Jaime de Andre′s
Publikováno v:
Physical Chemistry Chemical Physics. 1:5607-5613
The collisional systems Rb–Cs+ and Rb–Li+ (with all species in the ground entrance channel) have been studied using the crossed beams technique combined with decay fluorescence measurements. In the former system, only the emissions from the excit
Autor:
Simonetta Cavalli, Vincenzo Aquilanti, Alessandro Volpi, Jose M. Lucas, Dario De Fazio, Xavier Giménez, Antonio Aguilar
Publikováno v:
The Journal of Chemical Physics. 109:3805-3818
This work focuses on numerical aspects and performances of the hyperquantization algorithm, presented in the preceding paper, for a prototypical atom–diatom reaction. Here we provide also the extensions which allow the treatment of excited electron
Publikováno v:
The Journal of Physical Chemistry. 99:11696-11700
Publikováno v:
Physical chemistry chemical physics : PCCP. 13(18)
The specific influence of X(-) ions (X = F,Cl, Br, I) in the solvation process of halide-benzene (X(-)-Bz) ionic heterodimers by Ar atoms is investigated by means of molecular dynamic (MD) simulations. The gradual evolution from cluster rearrangement
Publikováno v:
Chemical Physics Letters. 189:138-143
The validity of arbitrarily increasing the mass of the exchanged atom when calculating reduced-dimensionality three-dimensional quantum cross sections for heavy—heavy—light reactions has been investigated by considering, as a case study, the Li +
Autor:
Antonia Elena Martinez-Torres, Luis Garcia-Marcos, Manuel Sanchez-Solis, Vicente Hernando Sastre, Jose M. Lucas Moreno
Publikováno v:
Pediatric allergy and immunology : official publication of the European Society of Pediatric Allergy and Immunology. 18(3)
The validity of the PhadiatopTM test as compared to the skin-prick test (SPT) for diagnosing atopy in the epidemiological field has not been studied in schoolchildren. The aim of the present study was to evaluate its validity for classifying schoolch
Autor:
Jose M. Lucas, Alessandro Volpi, Dario De Fazio, Vincenzo Aquilanti, Xavier Giménez, Antonio Aguilar, Simonetta Cavalli
This work reports on the performances of the hyperquantization algorithm in the symmetric hyperspherical coordinate representation for the F+H2 reaction. The use of alternative sequential diagonalization schemes has greatly reduced the computing time
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a11b59304dfdd8b365c099a5ebe15af3
http://hdl.handle.net/11391/4183
http://hdl.handle.net/11391/4183
Autor:
Josep Maria Bofill, Antonio Aguilar, Jose M. Lucas, Jaime de Andres, Margarita Albertí, Davide Bassi
Publikováno v:
Physical Chemistry Chemical Physics. 12:13646
Reactive collisions between n-C(3)H(7)Cl molecules and lithium ions both in their ground electronic state have been studied in the 0.05-7.00 eV center of mass energy range using an octopole radio frequency guided-ion beam apparatus developed in our l