PUBLICACIÓN

The optical properties of adenine cation in different oligonucleotides: a PCM/TD-DFT study

ACCEDER A LA PUBLICACIÓN: Scopus Orcid

Lara Martinez-Fernandez; Aurora Muñoz-Losa; Luciana Esposito; Roberto Improta

2018 THEORETICAL CHEMISTRY ACCOUNTS

Physical and Theoretical Chemistry (Q3)

JCR: 1.598

SJR: 0.462

CITAS

4

DOI

10.1007/s00214-018-2223-2

EID

2-s2.0-85042532232

ISSN

1432-881X

AUTORES DE LA UEX

Aurora Muñoz Losa

OTRAS PUBLICACIONES DE INTERÉS

Theoretical Study Of Liquid Hydrogen Fluoride. Application Of The Averaged Solvent Electrostatic Potential/molecular Dynamics Method
Exploring The Local Vegetation: Botanical Inquiry Trail, An Interactive Journey Of Learning
Science And Plant Interest In Outdoor Learning: Evaluating Prospective Teachers’ Experiences With A Botanical Inquiry Trail
Exploring The Local Vegetation: Botanical Inquiry Trail, An Interactive Journey Of Learning
Science And Plant Interest In Outdoor Learning: Evaluating Prospective Teachers’ Experiences With A Botanical Inquiry Trail
Bridging Generations: How Primary School Students And Primary School Prospective Teachers View Animals
Science And Plant Interest In Outdoor Learning: Evaluating Prospective Teachers’ Experiences With A Botanical Inquiry Trail
Bridging Generations: How Primary School Students And Primary School Prospective Teachers View Animals
Impact Of Interactive Science Workshops Participation On Primary School Children's Emotions And Attitudes Towards Science
Bridging Generations: How Primary School Students And Primary School Prospective Teachers View Animals
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
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
Enhancing Sustainability: Exploring The Knowledge, Actions, And Willingness Of Pre-Service Primary School Teachers
Integrating School Gardens Into Teacher Education: Enhancing Future Educators’ Knowledge And Confidence Through Practical Training
Enhancing Sustainability: Exploring The Knowledge, Actions, And Willingness Of Pre-Service Primary School Teachers
Teacher Education As An Agent For Sustainability: Validation Of An Sdgs‐focused Knowledge, Attitude, And Behavior Questionnaire For Pre‐service Primary Teachers
Enhancing Sustainability: Exploring The Knowledge, Actions, And Willingness Of Pre-Service Primary School Teachers
Teacher Education As An Agent For Sustainability: Validation Of An Sdgs‐focused Knowledge, Attitude, And Behavior Questionnaire For Pre‐service Primary Teachers
Exploring The Environmental Awareness Of 5th Grade Primary School Children Using A Qualitative Approac
Teacher Education As An Agent For Sustainability: Validation Of An Sdgs‐focused Knowledge, Attitude, And Behavior Questionnaire For Pre‐service Primary Teachers
Exploring The Environmental Awareness Of 5th Grade Primary School Children Using A Qualitative Approac
Enhancing Geology Education For Pre-Service Teachers: Forensic Geology And Gamification
Exploring The Environmental Awareness Of 5th Grade Primary School Children Using A Qualitative Approac
Enhancing Geology Education For Pre-Service Teachers: Forensic Geology And Gamification
The Food Chain Game: An Active Strategy For Understanding The Dynamics Of Ecosystems
Enhancing Geology Education For Pre-Service Teachers: Forensic Geology And Gamification
The Food Chain Game: An Active Strategy For Understanding The Dynamics Of Ecosystems
Emotions And Self-Efficacy Toward Simple Machines Learning Through A Stem Practice
The Food Chain Game: An Active Strategy For Understanding The Dynamics Of Ecosystems
Emotions And Self-Efficacy Toward Simple Machines Learning Through A Stem Practice
How Did The Egyptians Transport The Stone Blocks Of The Pyramids?
Emotions And Self-Efficacy Toward Simple Machines Learning Through A Stem Practice
How Did The Egyptians Transport The Stone Blocks Of The Pyramids?
Pedagogical Content Knowledge With Primary Pre-Service Teacher On Density: Validation Of A Questionnaire
How Did The Egyptians Transport The Stone Blocks Of The Pyramids?
Pedagogical Content Knowledge With Primary Pre-Service Teacher On Density: Validation Of A Questionnaire
Conocimiento Didáctico Del Contenido Sobre La Densidad Con Maestros En Formación: Un Estudio Inicial
Pedagogical Content Knowledge With Primary Pre-Service Teacher On Density: Validation Of A Questionnaire
Conocimiento Didáctico Del Contenido Sobre La Densidad Con Maestros En Formación: Un Estudio Inicial
Análisis De La Evolución De La Idea De Sostenibilidad En Futuros Maestros
Conocimiento Didáctico Del Contenido Sobre La Densidad Con Maestros En Formación: Un Estudio Inicial
Análisis De La Evolución De La Idea De Sostenibilidad En Futuros Maestros
Análisis De La Evolución De La Idea De Sostenibilidad En Futuros Maestros
Análisis De La Evolución De La Idea De Sostenibilidad En Futuros Maestros
Análisis De La Evolución De La Idea De Sostenibilidad En Futuros Maestros
How Methylation Modifies The Photophysics Of The Native All- Trans -Retinal Protonated Schiff Base: A Caspt2/md Study In Gas Phase And In Methanol
Análisis De La Evolución De La Idea De Sostenibilidad En Futuros Maestros
How Methylation Modifies The Photophysics Of The Native All- Trans -Retinal Protonated Schiff Base: A Caspt2/md Study In Gas Phase And In Methanol
The Optical Properties Of Adenine Cation In Different Oligonucleotides: A Pcm/td-Dft Study
How Methylation Modifies The Photophysics Of The Native All- Trans -Retinal Protonated Schiff Base: A Caspt2/md Study In Gas Phase And In Methanol
The Optical Properties Of Adenine Cation In Different Oligonucleotides: A Pcm/td-Dft Study
Evaluación De La Propuesta De Sostenibilidad Llevada A Cabo Por El Alumnado De La Asignatura Conocimiento Del Medio Natural En Educación Primaria
The Optical Properties Of Adenine Cation In Different Oligonucleotides: A Pcm/td-Dft Study
Evaluación De La Propuesta De Sostenibilidad Llevada A Cabo Por El Alumnado De La Asignatura Conocimiento Del Medio Natural En Educación Primaria
Qm/mm Study Of Substituent And Solvent Effects On The Excited State Dynamics Of The Photoactive Yellow Protein Chromophore
Evaluación De La Propuesta De Sostenibilidad Llevada A Cabo Por El Alumnado De La Asignatura Conocimiento Del Medio Natural En Educación Primaria
Qm/mm Study Of Substituent And Solvent Effects On The Excited State Dynamics Of The Photoactive Yellow Protein Chromophore
Excited-States Of A Rhenium Carbonyl Diimine Complex: Solvation Models, Spin-Orbit Coupling, And Vibrational Sampling Effects
Qm/mm Study Of Substituent And Solvent Effects On The Excited State Dynamics Of The Photoactive Yellow Protein Chromophore
Excited-States Of A Rhenium Carbonyl Diimine Complex: Solvation Models, Spin-Orbit Coupling, And Vibrational Sampling Effects
Solvent Effects On De-Excitation Channels In The P-Coumaric Acid Methyl Ester Anion, An Analogue Of The Photoactive Yellow Protein (Pyp) Chromophore
Excited-States Of A Rhenium Carbonyl Diimine Complex: Solvation Models, Spin-Orbit Coupling, And Vibrational Sampling Effects
Solvent Effects On De-Excitation Channels In The P-Coumaric Acid Methyl Ester Anion, An Analogue Of The Photoactive Yellow Protein (Pyp) Chromophore
Uv-Induced Adenine Radicals Induced In Dna A-Tracts: Spectral And Dynamical Characterization
Solvent Effects On De-Excitation Channels In The P-Coumaric Acid Methyl Ester Anion, An Analogue Of The Photoactive Yellow Protein (Pyp) Chromophore
Uv-Induced Adenine Radicals Induced In Dna A-Tracts: Spectral And Dynamical Characterization
Excited State Pathways Leading To Formation Of Adenine Dimers
Uv-Induced Adenine Radicals Induced In Dna A-Tracts: Spectral And Dynamical Characterization
Excited State Pathways Leading To Formation Of Adenine Dimers
Substituent And Solvent Effects On The Uv-Vis Absorption Spectrum Of The Photoactive Yellow Protein Chromophore
Excited State Pathways Leading To Formation Of Adenine Dimers
Substituent And Solvent Effects On The Uv-Vis Absorption Spectrum Of The Photoactive Yellow Protein Chromophore
Accelerating Qm/mm Calculations By Using The Mean Field Approximation
Substituent And Solvent Effects On The Uv-Vis Absorption Spectrum Of The Photoactive Yellow Protein Chromophore
Accelerating Qm/mm Calculations By Using The Mean Field Approximation
A State-Specific Pcm-Dft Method To Include Dynamic Solvent Effects In The Calculation Of Ionization Energies: Application To Dna Bases
Accelerating Qm/mm Calculations By Using The Mean Field Approximation
A State-Specific Pcm-Dft Method To Include Dynamic Solvent Effects In The Calculation Of Ionization Energies: Application To Dna Bases
Theoretical Study Of Solvent Effects On The Ground And Low-Lying Excited Free Energy Surfaces Of A Push-Pull Substituted Azobenzene
A State-Specific Pcm-Dft Method To Include Dynamic Solvent Effects In The Calculation Of Ionization Energies: Application To Dna Bases
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
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
Correlated Ab Initio Molecular Dynamics Simulations Of The Acetone-Carbon Dioxide Complex: Implications For Solubility In Supercritical Co2
Theoretical Study Of The Absorption And Emission Spectra Of The Anionic P-Coumaric Methyl Ester In Gas Phase And In Solution
Correlated Ab Initio Molecular Dynamics Simulations Of The Acetone-Carbon Dioxide Complex: Implications For Solubility In Supercritical Co2
Solvent Effects On The Absorption Spectra Of The Para-Coumaric Acid Chromophore In Its Different Protonation Forms
Correlated Ab Initio Molecular Dynamics Simulations Of The Acetone-Carbon Dioxide Complex: Implications For Solubility In Supercritical Co2
Solvent Effects On The Absorption Spectra Of The Para-Coumaric Acid Chromophore In Its Different Protonation Forms
Theoretical Study Of The Conformational Equilibrium Of 1,4-Dioxane In Gas Phase, Neat Liquid, And Dilute Aqueous Solutions
Solvent Effects On The Absorption Spectra Of The Para-Coumaric Acid Chromophore In Its Different Protonation Forms
Theoretical Study Of The Conformational Equilibrium Of 1,4-Dioxane In Gas Phase, Neat Liquid, And Dilute Aqueous Solutions
Simultaneous Solvent And Counterion Effects On The Absorption Properties Of A Model Of The Rhodopsin Chromophore
Theoretical Study Of The Conformational Equilibrium Of 1,4-Dioxane In Gas Phase, Neat Liquid, And Dilute Aqueous Solutions
Simultaneous Solvent And Counterion Effects On The Absorption Properties Of A Model Of The Rhodopsin Chromophore
Energy Flow In The Cryptophyte Pe545 Antenna Is Directed By Bilin Pigment Conformation
Simultaneous Solvent And Counterion Effects On The Absorption Properties Of A Model Of The Rhodopsin Chromophore
Energy Flow In The Cryptophyte Pe545 Antenna Is Directed By Bilin Pigment Conformation
Solvent Effects On The Radiative And Nonradiative Decay Of A Model Of The Rhodopsin Chromophore
Energy Flow In The Cryptophyte Pe545 Antenna Is Directed By Bilin Pigment Conformation
Solvent Effects On The Radiative And Nonradiative Decay Of A Model Of The Rhodopsin Chromophore
Dual Fluorescence Of Fluorazene In Solution: A Computational Study
Solvent Effects On The Radiative And Nonradiative Decay Of A Model Of The Rhodopsin Chromophore
Dual Fluorescence Of Fluorazene In Solution: A Computational Study
Solvent Effects On The Structure And Spectroscopy Of The Emitting States Of 1-Phenylpyrrole
Dual Fluorescence Of Fluorazene In Solution: A Computational Study
Solvent Effects On The Structure And Spectroscopy Of The Emitting States Of 1-Phenylpyrrole
Theoretical Study Of The Role Of Solvent Stark Effect In Electron Transitions
Solvent Effects On The Structure And Spectroscopy Of The Emitting States Of 1-Phenylpyrrole
Theoretical Study Of The Role Of Solvent Stark Effect In Electron Transitions
Using Molecular Dynamics And Quantum Mechanics Calculations To Model Fluorescence Observables
Theoretical Study Of The Role Of Solvent Stark Effect In Electron Transitions
Using Molecular Dynamics And Quantum Mechanics Calculations To Model Fluorescence Observables
Photosynthetic Light-Harvesting Is Tuned By The Heterogeneous Polarizable Environment Of The Protein
Using Molecular Dynamics And Quantum Mechanics Calculations To Model Fluorescence Observables
Photosynthetic Light-Harvesting Is Tuned By The Heterogeneous Polarizable Environment Of The Protein
Theoretical Study Of The Competition Between Intramolecular Hydrogen Bonds And Solvation In The Cys-Asn-Ser Tripeptide
Photosynthetic Light-Harvesting Is Tuned By The Heterogeneous Polarizable Environment Of The Protein
Theoretical Study Of The Competition Between Intramolecular Hydrogen Bonds And Solvation In The Cys-Asn-Ser Tripeptide
Use Of The Average Solvent Potential Approach In The Study Of Solvent Effects
Theoretical Study Of The Competition Between Intramolecular Hydrogen Bonds And Solvation In The Cys-Asn-Ser Tripeptide
Use Of The Average Solvent Potential Approach In The Study Of Solvent Effects
What Is Solvatochromism?
Use Of The Average Solvent Potential Approach In The Study Of Solvent Effects
What Is Solvatochromism?
A Subsystem Tddft Approach For Solvent Screening Effects On Excitation Energy Transfer Couplings
What Is Solvatochromism?
A Subsystem Tddft Approach For Solvent Screening Effects On Excitation Energy Transfer Couplings
Quantum Mechanical Approach To Solvent Effects On The Optical Properties Of Metal Nanoparticles And Their Efficiency As Excitation Energy Transfer Acceptors
A Subsystem Tddft Approach For Solvent Screening Effects On Excitation Energy Transfer Couplings
Quantum Mechanical Approach To Solvent Effects On The Optical Properties Of Metal Nanoparticles And Their Efficiency As Excitation Energy Transfer Acceptors
Which Strategy For Molecular Probe Design? An Answer From The Integration Of Spectroscopy And Qm Modeling
Quantum Mechanical Approach To Solvent Effects On The Optical Properties Of Metal Nanoparticles And Their Efficiency As Excitation Energy Transfer Acceptors
Which Strategy For Molecular Probe Design? An Answer From The Integration Of Spectroscopy And Qm Modeling
Solvatochromic Shifts On Absorption And Fluorescence Bands Of N,n-Dimethylaniline
Which Strategy For Molecular Probe Design? An Answer From The Integration Of Spectroscopy And Qm Modeling
Solvatochromic Shifts On Absorption And Fluorescence Bands Of N,n-Dimethylaniline
Electronic Energy Transfer In Condensed Phase Studied By A Polarizable Qm/mm Model
Solvatochromic Shifts On Absorption And Fluorescence Bands Of N,n-Dimethylaniline
Electronic Energy Transfer In Condensed Phase Studied By A Polarizable Qm/mm Model
Fretting About Fret: Failure Of The Ideal Dipole Approximation
Electronic Energy Transfer In Condensed Phase Studied By A Polarizable Qm/mm Model
Fretting About Fret: Failure Of The Ideal Dipole Approximation
Retinal Models: Comparison Of Electronic Absorption Spectra In The Gas Phase And In Methanol Solution
Fretting About Fret: Failure Of The Ideal Dipole Approximation
Retinal Models: Comparison Of Electronic Absorption Spectra In The Gas Phase And In Methanol Solution
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
Quantum Mechanical Methods Applied To Excitation Energy Transfer: A Comparative Analysis On Excitation Energies And Electronic Couplings
Solvent Effects On Radiative And Non-Radiative Excited State Decays
Quantum Mechanical Methods Applied To Excitation Energy Transfer: A Comparative Analysis On Excitation Energies And Electronic Couplings
Solvent Effects On Radiative And Non-Radiative Excited State Decays
Location Of Conical Intersections In Solution Using A Sequential Quantum Mechanics/molecular Dynamics Method
Solvent Effects On Radiative And Non-Radiative Excited State Decays
Location Of Conical Intersections In Solution Using A Sequential Quantum Mechanics/molecular Dynamics Method
An Asep/md Study Of Liquid Chloroform
Location Of Conical Intersections In Solution Using A Sequential Quantum Mechanics/molecular Dynamics Method
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
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
Theoretical Study Of Liquid Hydrogen Fluoride. Application Of The Averaged Solvent Electrostatic Potential/molecular Dynamics Method
An Averaged Solvent Electrostatic Potential/molecular Dynamics Study Of The Influence Of The Electron Correlation On The Properties Of Liquid Hydrogen Fluoride
Theoretical Study Of Liquid Hydrogen Fluoride. Application Of The Averaged Solvent Electrostatic Potential/molecular Dynamics Method
Exploring The Local Vegetation: Botanical Inquiry Trail, An Interactive Journey Of Learning
WEB ACCESIBLE