A5103150373- Advanced Statistical Methods and Models
- Advanced Chemical Physics Studies
- Statistical Methods and Inference
- Statistical Mechanics and Entropy
- Statistical Methods and Bayesian Inference
- Multi-Criteria Decision Making
- Quantum, superfluid, helium dynamics
- Bayesian Methods and Mixture Models
- Spectroscopy and Laser Applications
- Atmospheric Ozone and Climate
- Molecular Spectroscopy and Structure
- Statistical Distribution Estimation and Applications
- Atomic and Molecular Physics
- Cold Atom Physics and Bose-Einstein Condensates
- Spectroscopy and Quantum Chemical Studies
- Atmospheric chemistry and aerosols
- Statistical Methods in Clinical Trials
- Fuzzy Systems and Optimization
- Fuzzy Logic and Control Systems
- Advanced Statistical Process Monitoring
- Mass Spectrometry Techniques and Applications
- Molecular Junctions and Nanostructures
- Data Management and Algorithms
- Photochemistry and Electron Transfer Studies
- Gas Dynamics and Kinetic Theory
Universidad Complutense de Madrid
2014-2024
Universidad de Oviedo
2024
Rede de Química e Tecnologia
2019
Central University Hospital of Asturias
2019
Laboratoire d'Economie Appliquée de Grenoble
2015
Paris School of Economics
2015
Université Paris Dauphine-PSL
2015
Paris Jourdan Sciences Economiques
2015
Universidad Politécnica de Madrid
2001-2010
Instituto de Estructura de la Materia
1999-2005
In this paper, (h,φ)-entropies are presented as a generalization of φ-entropies, Havrda-Charvat entropies and the Renyi entropy among others. For functional, asymptotic distribution for simple random sampling stratified .sampling with proportional affixing is obtained.
Experimental and theoretical differential cross sections for the reactions between Cl atoms two isotopic variants of molecular hydrogen (H2 D2) are presented. The experimental results have been obtained by using crossed beam method with mass spectrometric detection. computed both quasiclassical trajectory quantum mechanical (QM) methods. potential energy surface employed calculations is ab initio BW2 Bian Werner [J. Chem. Phys. 112, 220 (2000)]. directly compared to experiments in laboratory...
This theoretical study has shown that rotational excitation is as effective vibrational in promoting the reactivity.
We have performed ring polymer molecular dynamics (RPMD) calculations on the Cl + O3 → ClO O2 reaction at temperatures ranging from 200 K to 400 K, and compared results with previous theoretical studies also available experimental data. This presents a couple of features which makes it particularly interesting challenging case be studied using RPMD. First, classically, this is essentially barrierless reaction, saddle point located below reactants. However, free energy profiles along...
Quantum mechanical (QM) and quasi-classical trajectory (QCT) calculations have been performed for the Cl+H2, Cl+D2, Cl+HD→ HCl(DCl)+D(H) reactions in order to determine integral cross sections as a function of collision energy different reagent rotational quantum numbers using recent ab initio BW2 potential surface (PES) by Bian Werner [J. Chem. Phys. 112, 220 (2000)]. The results are compared with experimental data obtained Doppler-selected time-of-flight technique. It has found...
Adiabatic potential energy surfaces for the ground electronic state of Xe⋅⋅⋅NO(X(2)Π) van der Waals complex have been calculated using spin-restricted coupled cluster method with single, double, and non-iterative triple excitations (RCCSD(T)). The scalar relativistic effects present in Xe atom were included by an effective core we extended basis bond functions to improve description dispersion interaction. It has found that global minimum on A(') adiabatic surface occurs at a T-shaped...
In a crossed molecular-beam study we have measured angular and time-of-flight distributions of the product LiF from reaction Li+HF(υ=0)→LiF+H at various collision energies ranging 97to363meV for three markedly different rotational state HF obtained nozzle temperatures close to 315, 510, 850K. Particularly, low intermediate observe significant effects varying j-state populations on shape distributions. At 315K an additional feature appears in which is interpreted as being due scattering...
A quantum generalized deflection function is aimed at unravelling effects in chemical reactions.
Differential cross sections (DCSs) for the H + D2 → HD(v' = 4, j') D reaction at 3.26 eV collision energy have been measured using photoloc technique, and results compared with those from quantum quasiclassical scattering calculations. The mechanical DCSs are in good overall agreement experimental measurements. In common previous 1.97 eV, clear interference patterns which appear as fingerlike structures found but this case vibrational states high v' 4. oscillatory structure is prominent low...
By aligning the reactant's rotational angular momentum it is possible not only to enhance or diminish intensity of resonance, but also split resonance peak, disentangling underlying contributions pattern.
Abstract Csiszár's φ-divergences of discrete distributions are extended to a more general class disparity measures by restricting the convexity functions φ(t), t > 0, local at = 1 and monotonicity on intervals (0, 1) (l,∞). Goodness-of-fit estimation testing procedures based (^-disparity statistics introduced. Robustness procedure is discussed asymptotic for established in statistical models with data grouped according their values or orders Keywords: divergence measuresdisparity...
Read (1984) presented an asymptotic expansion for the distribution function of power divergence statistics whose speed convergence is dependent on parameter family. Generalizes that result by considering family (h, φ)‐divergence measures. Considers two other closer approximations to exact distribution. Compares these three Renyi’s statistic in small samples.
The reaction between atomic oxygen and molecular hydrogen is an important one in astrochemistry as it regulates the abundance of hydroxyl radical serves to open chemistry diverse astronomical environments. However, existence a high activation barrier with ground state atoms limits its efficiency cold gas. In this study we calculate dependence rate coefficient on rotational vibrational H$_2$ evaluate impact OH interstellar regions strongly irradiated by far-UV photons, where H2 can be...
The O(
We present here extensive calculations of the O(
The collision energy dependence of the Ca(1D2)+ HCl → CaCl(A)+ H reaction cross-section has been measured over low-energy range using time-of-flight technique under crossed-beam conditions. excitation function shows a step-like functionality which seems to be non-classical nature. These steps could associated with opening internal transition states that become available as total increases.