A5009865219- Chemistry Education and Research
- Advanced Chemical Physics Studies
- Environmental Sustainability and Education
- Science and Science Education
- Quantum, superfluid, helium dynamics
- Indigenous Studies in Latin America
- Indigenous Health and Education
- Various Chemistry Research Topics
- Spectroscopy and Quantum Chemical Studies
- Rural and Ethnic Education
- Atomic and Molecular Physics
- Molecular Spectroscopy and Structure
- Indigenous Cultures and Socio-Education
- Chemistry and Chemical Engineering
- Science and Education Research
- Education Pedagogy and Practices
- Traumatic Brain Injury and Neurovascular Disturbances
- Historical Education and Society
- Phase Equilibria and Thermodynamics
- Urban and sociocultural dynamics
- Atmospheric Ozone and Climate
- History of Education Research in Brazil
- History and advancements in chemistry
- Lanthanide and Transition Metal Complexes
- Intracranial Aneurysms: Treatment and Complications
University of Coimbra
2015-2025
Aims/Purpose: This work aims to assess the consistency of neurovascular coupling (NVC) response a healthy subject group at two visits 5 months apart. Methods: Fundus images (4x4 degrees) macular region (3 baseline acquisitions and 3 each preceded by flicker stimulation) 13 adults (one eye each, age (m+/‐sd): 33.08+/‐11.4 yrs.) were acquired with rtx1 AO camera (ImagineEyes, Orsay, France). The was configured for 20 second, 15Hz, 4 μW.cm^(‐2) stimulation over 29x20 degrees area imaged fundus....
Aims/Purpose: This work aims to assess the consistency of neurovascular coupling (NVC) response a healthy subject group at two visits 5 months apart. Methods: Fundus images (4x4 degrees) macular region (3 baseline acquisitions and 3 each preceded by flicker stimulation) 13 adults (one eye each, age (m+/‐sd): 33.08+/‐11.4 yrs.) were acquired with rtx1 AO camera (ImagineEyes, Orsay, France). The was configured for 20 second, 15Hz, 4 μW.cm^(‐2) stimulation over 29x20 degrees area imaged fundus....
A single-valued double many-body expansion potential energy surface is reported for ground-state HCN based on a realistic representation of the long-range forces, and fit to accurate ab initio calculations HCN↔CNH regions [J. M. Bowman, B. Gazdy, J. A. Bentley, T. Lee, C. E. Dateo, Chem. Phys. 99, 308 (1993)] novel full valence complete active space energies CHN geometries. The various topographical features global are examined, vibrational presented characterize minima associated CNH...
Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN2 system by focusing on determination of bimolecular (N + NH H N2) unimolecular (decomposition HN2) rate constants as well relevant equilibrium constants.
An accurate single-sheeted double many-body expansion potential energy surface has been obtained for the ground electronic state of hydrogen cyanide molecule via a multiproperty fit to ab initio energies and rovibrational data. This includes 106 levels 2313 discrete points, which are with rmsd 4 cm-1 2.42 kcal mol-1, respectively, seven zero first-derivatives that reproduced at three stationary points. Since also describes accurately appropriate asymptotic limits various dissociation...
Recent reports have claimed a superior performance of HEPES buffer in comparison to alternative systems for 67/68 Ga labeling aqueous media. In this paper we report spectroscopic ( 1 H and 71 NMR), radiochemical, mass spectrometry theoretical modeling studies on the 3+ /HEPES system (HEPES = N ‐2‐hydroxyethylpiperazine‐ ′‐2‐ethanesulfonic acid) performed with aim elucidating potential contribution 68/67 radiolabeling process. Our results demonstrate that acts as weakly but competitive...
Linker length has little effect on the relaxivity of Gd<sup>3+</sup> chelates immobilized onto gold nanoparticles.
A single-sheeted double many-body expansion potential energy surface is reported for the lowest doublet state of HN2 by fitting additional multireference configuration interaction energies in N···NH channel. stratified analysis root-mean-squared error indicates an accuracy superior to that achieved previously form. Detailed dynamical tests are also performed N + NH reaction using both quasi-classical trajectory method and capture theory, results compared with available empirical data. The...
An accurate single-valued double many-body expansion potential energy surface has been obtained for the ground electronic state of sulfur dioxide molecule (SO2) by fitting novel ab initio energies suitably corrected scaling its correlation energy. The stationary points new have exhaustively analyzed, and quality fit was appreciated from stratified root-mean-square deviations between analytical potential.
A dynamics study of the reaction Ar + HCN → H CN for a wide range initial vibrational and translational energies is reported. All calculations have been carried out with quasiclassical trajectory method realistic potential energy surface ArHCN. An attempt made to reproduce thermal rate coefficient reaction. Agreement experiment found be good, limitations approach are stressed. brief analysis rotational effects, transfer, unimolecular dissociation highly excited HCN* molecules also presented.
The electric quadrupole moment of several first-row diatomic hydrides has been calculated as a function the internuclear distance. values have fitted to general analytical which covers from united-atom separated-atoms limits. A discussion on atom–diatom electrostatic interaction energy is presented, and validity classical optimized method tested.
A global ab initio potential energy surface is proposed for the water molecule by energy-switching/merging a highly accurate isotope-dependent local function reported Polyansky et al. [Science 299, 539 (2003)] with form of many-body expansion type suitably adapted to account explicitly dynamical correlation and parametrized from extensive multireference configuration interaction energies extrapolated complete basis set limit. The new mimics also complicated Sigma/Pi crossing that arises at...
Quasiclassical trajectory calculations have been carried out for the reaction S + O2 → SO O and its reverse using an accurate single-valued double many-body expansion (DMBE) potential energy surface previously reported ground electronic state of sulfur dioxide molecule. A new scheme is suggested thermalization reactants which avoids usual separation rotation vibration. detailed analysis complex formation thermal distribution in products also presented direct at T = 300 K. The agreement with...
ADVERTISEMENT RETURN TO ISSUEPREVTech ReportNEXTA Quantum Mechanics Toolkit: Useful Internet Toolkit to Teach Fundamental Concepts of MechanicsJoão P. M. Poiares , Sérgio J. Rodrigues and Jorge C. Marques View Author Information Departamento de Química, Universidade Coimbra, 3004-0535 PortugalCite this: Chem. Educ. 2008, 85, 4, 591Publication Date (Web):April 1, 2008Publication History Received3 August 2009Published online1 April 2008Published inissue 1...
En este trabajo se analiza la utilización de los mapas conceptuales para el aprendizaje alumnos Bioquímica II del grado Farmacia Universidad Santiago Compostela. La introducción, por primera vez, esta herramienta pretendía mejorar calidad docente y adquisición competencias parte alumnos. Los estudiantes aprendieron contenidos bioquímicos identificando conceptos principales secundarios, pudieron desarrollar habilidades transversales, como uso aplicaciones especiales preparación manejo fuentes...
Resumo Partindo de uma revisão sobre a história do uso da banda desenhada para o ensino das ciências, apresenta-se um exemplo recente seu emprego na divulgação e didática Ressonância Magnética Nuclear (RMN) em Coimbra. Dá-se ainda ênfase à forma como este formato pode ser usado evidenciar maneira se organiza ciência. Centrado num congresso internacional RMN, Coimbra, 1968, procura mostrar foi fundamental espectroscopia RMN Portugal, destacando papel alguns dos atores importância fontes...
Faz-se uma revisão breve da evolução de alguns conceitos e ideias fundamentais em Química, nomeadamente os que são relativos aos elementos químicos átomos, moléculas iões compostos, geometria molecular, estrutura eletrônica, ligação química, interações reações químicas desembocam no conceito “Grandes Ideias” Química. É apresentada lista simplificada comum às propostas analisadas baseada na histórica dos
The experience of the authors on use computers teaching at various levels graduation, in Chemistry and Medicinal Chemistry, ranging from General to Drug Design, passing through Computational other courses is presented. capabilities for revealing microscopic, unseen, hidden patterns all show how are used research molecules, materials, drugs, higher emphasized. approach based simple ideas concepts, practical laboratory work, motivational narratives, clear feedback. New forms clarifying complex...