Beatriz Miguel

Prof. Dr. Beatriz Miguel

Universidad Politécnica de Cartagena - Technical University of Cartagena
orcid

Research Focus & Metrics

Academic Career Length

37Years (1990-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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1 December 1990 in Chemical Physics Letters
Verified
Journal Article
Closed access
SHS. Huzinaga
S. Huzinaga
BMBeatriz Miguel
Beatriz Miguel

9 January 2006 in Chemical Physics Letters
Verified
Journal Article
Closed access
ABAdolfo Bastida
Adolfo Bastida
CCCarlos Cruz
Carlos Cruz
JZJosé Zúñiga
José Zúñiga
ARAlberto Requena
Alberto Requena
BMBeatriz Miguel
Beatriz Miguel

4 March 2010 in The Journal of Physical Chemistry B
Verified
Journal Article
Closed access
José Pedro Cerón-CarrascoJosé Pedro Cerón-Carrasco
José Pedro Cerón-Carrasco
ABAdolfo Bastida
Adolfo Bastida
ARA. Requena
A. Requena
JZJ. Zúñiga
J. Zúñiga
BMBeatriz Miguel
Beatriz Miguel

3 January 2007 in The Journal of Chemical Physics
Verified
Journal Article
Closed access
ABAdolfo Bastida
Adolfo Bastida
CCCarlos Cruz
Carlos Cruz
JZJosé Zúñiga
José Zúñiga
ARAlberto Requena
Alberto Requena
BMBeatriz Miguel
Beatriz Miguel
The use of the Ehrenfest method to simulate the relaxation of molecules in solution is explored. Using the cyanide ion dissolved in water as a test model, the independent trajectory (IT) and the bundle of trajectories (BT) approximations are shown to provide very different results for the time evolution of the vibrational populations of the solute. None of these approximations reproduce the Boltzmann equilibrium vibrational populations accurately. A modification of the Ehrenfest method based on the use of quantum correction factors is thus proposed to solve this problem. The simulations carried out using the modified Ehrenfest method provide IT and BT relaxation times which are closer to each other and which agree quite well with previous hybrid perturbative results.

1 December 2017 in Computers and Electronics in Agriculture
Verified
Journal Article
Closed access
DGD. Ojados Gonzalez
D. Ojados Gonzalez
BMBernardo Martin-Gorriz
Bernardo Martin-Gorriz
IBI. Ibarra Berrocal
I. Ibarra Berrocal
AMA. Macian Morales
A. Macian Morales
GSG. Adolfo Salcedo
G. Adolfo Salcedo
BMBeatriz Miguel
Beatriz Miguel

1 May 2008 in The Journal of Physical Chemistry A
Verified
Journal Article
Closed access
ARA. Requena
A. Requena
José Pedro Cerón-CarrascoJosé Pedro Cerón-Carrasco
José Pedro Cerón-Carrasco
ABAdolfo Bastida
Adolfo Bastida
JZJ. Zúñiga
J. Zúñiga
BMBeatriz Miguel
Beatriz Miguel