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- A State-Specific PCM-DFT method to include dynamic solvent effects in the calculation of ionization energies: Application to DNA bases
- A subsystem TDDFT approach for solvent screening effects on excitation energy transfer couplings
- Accelerating qm/mm calculations by using the mean field approximation
- An ASEP/MD study of liquid chloroform
- An averaged solvent electrostatic potential/molecular dynamics study of the influence of the electron correlation on the properties of liquid hydrogen fluoride
- Análisis de la evolución de la idea de sostenibilidad en futuros maestros
- Análisis de la evolución de la idea de sostenibilidad en futuros maestros
- Bridging generations: how primary school students and primary school prospective teachers view animals
- Conocimiento didáctico del contenido sobre la densidad con maestros en formación: un estudio inicial
- Correlated ab initio molecular dynamics simulations of the acetone-carbon dioxide complex: Implications for solubility in supercritical CO2
- Dual fluorescence of fluorazene in solution: A computational study
- EXPLORING THE ENVIRONMENTAL AWARENESS OF 5TH GRADE PRIMARY SCHOOL CHILDREN USING A QUALITATIVE APPROAC
- Electronic energy transfer in condensed phase studied by a polarizable QM/MM model
- Emotions and self-efficacy toward simple machines learning through a STEM practice
- Energy flow in the cryptophyte PE545 antenna is directed by bilin pigment conformation
- Enhancing Sustainability: Exploring the Knowledge, Actions, and Willingness of Pre-Service Primary School Teachers
- Enhancing geology education for pre-service teachers: Forensic geology and gamification
- Evaluación de la propuesta de Sostenibilidad llevada a cabo por el alumnado de la asignatura Conocimiento del Medio Natural en Educación Primaria
- Excited State Pathways Leading to Formation of Adenine Dimers
- Excited-states of a rhenium carbonyl diimine complex: Solvation models, spin-orbit coupling, and vibrational sampling effects
- Exploring the local vegetation: botanical inquiry trail, an interactive journey of learning
- Fretting about FRET: Failure of the ideal dipole approximation
- How Did the Egyptians Transport the Stone Blocks of the Pyramids?
- How Methylation Modifies the Photophysics of the Native All- trans -Retinal Protonated Schiff Base: A CASPT2/MD Study in Gas Phase and in Methanol
- Impact of Interactive Science Workshops Participation on Primary School Children's Emotions and Attitudes Towards Science
- Integrating School Gardens into Teacher Education: Enhancing Future Educators’ Knowledge and Confidence Through Practical Training
- Location of conical intersections in solution using a sequential quantum mechanics/molecular dynamics method
- Pedagogical Content Knowledge with Primary Pre-service Teacher on Density: Validation of a Questionnaire
- Photosynthetic light-harvesting is tuned by the heterogeneous polarizable environment of the protein
- QM/MM Study of Substituent and Solvent Effects on the Excited State Dynamics of the Photoactive Yellow Protein Chromophore
- Quantum mechanical approach to solvent effects on the optical properties of metal nanoparticles and their efficiency as excitation energy transfer acceptors
- Quantum mechanical methods applied to excitation energy transfer: A comparative analysis on excitation energies and electronic couplings
- Retinal models: Comparison of electronic absorption spectra in the gas phase and in methanol solution
- Science and Plant Interest in Outdoor Learning: Evaluating Prospective Teachers’ Experiences with a Botanical Inquiry Trail
- Simultaneous solvent and counterion effects on the absorption properties of a model of the rhodopsin chromophore
- Solvatochromic shifts on absorption and fluorescence bands of N,N-dimethylaniline
- Solvent Effects on Radiative and Non-Radiative Excited State Decays
- Solvent effects on de-excitation channels in the p-coumaric acid methyl ester anion, an analogue of the photoactive yellow protein (PYP) chromophore
- Solvent effects on the radiative and nonradiative decay of a model of the rhodopsin chromophore
- Solvent effects on the structure and spectroscopy of the emitting states of 1-phenylpyrrole
- Solvent effects on the absorption spectra of the para-coumaric acid chromophore in its different protonation forms
- Substituent and solvent effects on the UV-vis absorption spectrum of the photoactive yellow protein chromophore
- Teacher Education as an Agent for Sustainability: Validation of an SDGs‐Focused Knowledge, Attitude, and Behavior Questionnaire for Pre‐Service Primary Teachers
- The food chain game: an active strategy for understanding the dynamics of ecosystems
- The optical properties of adenine cation in different oligonucleotides: a PCM/TD-DFT study
- Theoretical study of liquid hydrogen fluoride. Application of the averaged solvent electrostatic potential/molecular dynamics method
- Theoretical study of the competition between intramolecular hydrogen bonds and solvation in the Cys-Asn-Ser tripeptide
- Theoretical study of the role of solvent Stark effect in electron transitions
- Theoretical study of the conformational equilibrium of 1,4-dioxane in gas phase, neat liquid, and dilute aqueous solutions
- Theoretical study of solvent effects on the ground and low-lying excited free energy surfaces of a push-pull substituted azobenzene
- Theoretical study of the absorption and emission spectra of the anionic p-coumaric methyl ester in gas phase and in solution
- UV-Induced Adenine Radicals Induced in DNA A-Tracts: Spectral and Dynamical Characterization
- Use of the Average Solvent Potential Approach in the Study of Solvent Effects
- Using molecular dynamics and quantum mechanics calculations to model fluorescence observables
- What is solvatochromism?
- Which strategy for molecular probe design? An answer from the integration of spectroscopy and QM modeling
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