A5003109175- Advanced Chemical Physics Studies
- Spectroscopy and Quantum Chemical Studies
- Quantum, superfluid, helium dynamics
- Spectroscopy and Laser Applications
- Atomic and Molecular Physics
- Neural Networks and Applications
- Cold Atom Physics and Bose-Einstein Condensates
- Advanced Thermodynamics and Statistical Mechanics
- Chemical Thermodynamics and Molecular Structure
- Spectroscopy and Chemometric Analyses
- Chemistry Education and Research
- Science and Science Education
- Atmospheric Ozone and Climate
- Atomic and Subatomic Physics Research
- Molecular Junctions and Nanostructures
- NMR spectroscopy and applications
- Phase Equilibria and Thermodynamics
- High-pressure geophysics and materials
- Machine Learning in Materials Science
- Muon and positron interactions and applications
- Molecular Spectroscopy and Structure
- Fractional Differential Equations Solutions
- Various Chemistry Research Topics
- Force Microscopy Techniques and Applications
- Numerical methods in inverse problems
California State University System
2025
Universidade Federal de Minas Gerais
2015-2024
Universidade Estadual de Montes Claros
2023
University of Trás-os-Montes and Alto Douro
2020
Centro Hospitalar de Vila Nova de Gaia
2014
National Council for Scientific and Technological Development
1989
University of Sussex
1984-1988
A procedure called SVM-KM, based on clustering by k-means and to accelerate the training of support vector machines, is main objective work. During machines (SVMs) optimization phase, vectors near separation margins, are likely become must be preserved. Conversely, far from margins not in general taken into account for SVM's design process. SVM-KM groups many clusters. Clusters formed only a that belongs same class label can disregard cluster centers used. On other hand, clusters with more...
Liquid state theories are grounded in statistical mechanics, making key concepts challenging for newcomers. Important results and discussions often scattered across various papers textbooks, many of which address broader topics include only a single chapter on liquid theory. As result, gathering the necessary foundational knowledge can be time-consuming requires some insight finding right resources. This paper aims to provide clear accessible introduction theory by discussing derivation...
Abordagens cirúrgicas supratentoriais frequentemente envolvem a abertura da dura-máter e realização de duroplastia durante fase síntese do procedimento. A técnica selante é tradicionalmente considerada crucial para prevenir complicações, mas evidências recentes sugerem que não pode apresentar resultados clínicos similares, além potencialmente reduzir custos tempo cirúrgico. Este projeto desenvolve uma revisão literatura comparar os desfechos técnicas em craniotomias supratentoriais,...
Rate constants for the electronic quenching reaction N(2D) + N2 → N(4S) are calculated temperatures over range of 240 ≤ T/K 1000 using an accurate set three global potential energy surfaces N3 system (4A″,2A′, and 2A″). The nuclear motion is treated by running quasiclassical trajectories, incorporating spin-forbidden transitions with trajectory surface hopping method. exclusively theoretical results compared available experimental data contribute to clarify discrepancies among them. rate at...
This paper focuses on the calculation of quantum second virial coefficient, under a recently developed potential. coefficient was determined to within 4-5 significant figures in temperature range from 3 100 K. Our results are experimental error. The three contributions overall value scattering (continuum state contribution), bound (discrete contribution) and ideal gas; we discuss these separately. most contribution is states, whereas smaller discrete states. A sensitivity analysis performed...
The electronic quenching reaction N((2)D) + N2 → N((4)S) is studied using the trajectory surface hopping method and employing two doublet one quartet accurate potential energy surfaces. State-specific properties are analyzed, such as dependence of cross section on initial quantum state reactants, vibrational transfer, rovibrational distribution product molecule in thermalized conditions. It found that rotational reactant effective promoting reaction, whereas excitation tends to reduce...
We report a new global double many-body expansion potential energy surface for the ground state of CNO(2A') manifold, calculated by explicit correlation multireference configuration interaction method. The functional form was accurately fitted to 3701 ab initio points with root mean squared deviation 0.99 kcal mol-1. All stationary reported in previous forms are systematically described and improved, addition three ones characterization an isomerization transition between CNO NCO minima....
A general algorithm to solve linear and nonlinear inverse problems, based on recursive neural networks, is discussed in this work. The procedure will be applied physical chemical problems modeled by integral, differential eigenvalue equations. Representative applications are positron lifetime spectroscopy, kinetics vibrational spectroscopy. method robust with respect errors the initial condition or experimental data. present approach simple, numerically stable has a broad range of applicability.
Important physical and chemical information can be extracted from scattering experiments data. This kind of problem is usually ill-posed in the sense that one three conditions, existence, uniqueness, continuity, not satisfied. For example, inversion intermolecular potential functions data, such as experimental cross section, an which modeled a Fredholm integral equation. In this work, method based on recursive neural networks proposed to solve inverse quantum within Born approximation. As...
Rate coefficients for the N(2D)+N2 collisions were calculated employing quasiclassical trajectories and first available set of potential energy surfaces such excited nitrogen interactions. The details vibrational transfer are discussed, as contributions from reactive non-reactive well contribution each electronic symmetry. state-to-state state-to-all rate show that deactivation is far more probable than excitation, multi-quanta play an important role.
This work describes a green synthesis, the characterization, and biological evaluation of silver nanoparticles (AgNPs). The AgNPs suspension was synthesized using aqueous leaf extract Eucalyptus grandis, which presented characteristic band at 407 nm in UV-Vis spectrum. spherical shape size 9.7 ± 0.3 nm. were stable over month, indicating that E. grandis’ is suitable for their preparation stabilization. X-ray analysis showed crystallinity corresponded to centered face phase silver....