Portal Investigación UEx

Rovibrational Energy Levels And Expectation Values For Perturbed Kratzer Oscillators

A Procedure To Understanding The C-G To A-T Transversion. Smd Simulations From Guanine Oxidation Pathways Assisted By One H2o2 Molecule In The C-G Basis Pair

Mechanisms Of The T-A To C-G Transition Studied By Smd Simulations: Deamination Vs Tautomerisation

A Procedure To Understanding The C-G To A-T Transversion. Smd Simulations From Guanine Oxidation Pathways Assisted By One H2o2 Molecule In The C-G Basis Pair

Mechanisms Of The T-A To C-G Transition Studied By Smd Simulations: Deamination Vs Tautomerisation

Photocatalysis In An External Four-Lamp Reactor: Modelling And Validation—dichloroacetic Acid Photo-Oxidation In The Presence Of Tio2

Mechanisms Of The T-A To C-G Transition Studied By Smd Simulations: Deamination Vs Tautomerisation

Photocatalysis In An External Four-Lamp Reactor: Modelling And Validation—dichloroacetic Acid Photo-Oxidation In The Presence Of Tio2

Structural And Thermodynamic Studies Of Cytosine To Thymine Conversion In Gas And Solution Phases Using Steered Molecular Dynamic Simulations

Photocatalysis In An External Four-Lamp Reactor: Modelling And Validation—dichloroacetic Acid Photo-Oxidation In The Presence Of Tio2

Structural And Thermodynamic Studies Of Cytosine To Thymine Conversion In Gas And Solution Phases Using Steered Molecular Dynamic Simulations

Theoretical Study Of Adenine To Guanine Transition Assisted By Water And Formic Acid Using Steered Molecular Dynamic Simulations

Structural And Thermodynamic Studies Of Cytosine To Thymine Conversion In Gas And Solution Phases Using Steered Molecular Dynamic Simulations

Theoretical Study Of Adenine To Guanine Transition Assisted By Water And Formic Acid Using Steered Molecular Dynamic Simulations

Theoretical Study Of Mechanisms For Double Proton Transfer In Adenine–uracil Base Pair Via Steered Molecular Dynamic Simulations

Theoretical Study Of Adenine To Guanine Transition Assisted By Water And Formic Acid Using Steered Molecular Dynamic Simulations

Theoretical Study Of Mechanisms For Double Proton Transfer In Adenine–uracil Base Pair Via Steered Molecular Dynamic Simulations

Mechanisms For Guanine–cytosine Tautomeric Equilibrium In Solution Via Steered Molecular Dynamic Simulations

Theoretical Study Of Mechanisms For Double Proton Transfer In Adenine–uracil Base Pair Via Steered Molecular Dynamic Simulations

Mechanisms For Guanine–cytosine Tautomeric Equilibrium In Solution Via Steered Molecular Dynamic Simulations

Theoretical Study Of Mechanisms For The Hydrolytic Deamination Of Cytosine: Via Steered Molecular Dynamic Simulations

Mechanisms For Guanine–cytosine Tautomeric Equilibrium In Solution Via Steered Molecular Dynamic Simulations

Theoretical Study Of Mechanisms For The Hydrolytic Deamination Of Cytosine: Via Steered Molecular Dynamic Simulations

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Theoretical Study Of Mechanisms For The Hydrolytic Deamination Of Cytosine: Via Steered Molecular Dynamic Simulations

Educational Activities For Acquiring Skills In The Eees Adapted Degrees

Theoretical Thermodynamic Study Of The Adenine–thymine Tautomeric Equilibrium: Electronic Structure Calculations And Steered Molecular Dynamic Simulations

Educational Activities For Acquiring Skills In The Eees Adapted Degrees

Theoretical Thermodynamic Study Of The Adenine–thymine Tautomeric Equilibrium: Electronic Structure Calculations And Steered Molecular Dynamic Simulations

Steered Molecular Dynamic Simulations Of The Tautomeric Equilibria In Solution Of Dna Bases

Theoretical Thermodynamic Study Of The Adenine–thymine Tautomeric Equilibrium: Electronic Structure Calculations And Steered Molecular Dynamic Simulations

Steered Molecular Dynamic Simulations Of The Tautomeric Equilibria In Solution Of Dna Bases

Theoretical Determination Of Aqueous Acid–base Pk Values: Electronic Structure Calculations And Steered Molecular Dynamic Simulations

Steered Molecular Dynamic Simulations Of The Tautomeric Equilibria In Solution Of Dna Bases

Theoretical Determination Of Aqueous Acid–base Pk Values: Electronic Structure Calculations And Steered Molecular Dynamic Simulations

Theoretical Study Of Enzymatically Catalyzed Tautomerization Of Carbon Acids In Aqueous Solution: Quantum Calculations And Steered Molecular Dynamics Simulations

Theoretical Determination Of Aqueous Acid–base Pk Values: Electronic Structure Calculations And Steered Molecular Dynamic Simulations

Theoretical Study Of Enzymatically Catalyzed Tautomerization Of Carbon Acids In Aqueous Solution: Quantum Calculations And Steered Molecular Dynamics Simulations

Amide-Imide Tautomerism Of Acetohydroxamic Acid In Aqueous Solution: Quantum Calculation And Smd Simulations

Theoretical Study Of Enzymatically Catalyzed Tautomerization Of Carbon Acids In Aqueous Solution: Quantum Calculations And Steered Molecular Dynamics Simulations

Amide-Imide Tautomerism Of Acetohydroxamic Acid In Aqueous Solution: Quantum Calculation And Smd Simulations

A Computational Model Of The Glycine Tautomerization Reaction In Aqueous Solution

Amide-Imide Tautomerism Of Acetohydroxamic Acid In Aqueous Solution: Quantum Calculation And Smd Simulations

A Computational Model Of The Glycine Tautomerization Reaction In Aqueous Solution

Thermodynamic Study Of Hydrolysis Reactions In Aqueous Solution From Ab Initio Potential And Molecular Dynamics Simulations

A Computational Model Of The Glycine Tautomerization Reaction In Aqueous Solution

Thermodynamic Study Of Hydrolysis Reactions In Aqueous Solution From Ab Initio Potential And Molecular Dynamics Simulations

Amino Acid Tautomerization Reactions In Aqueous Solution Via Concerted And Assisted Mechanisms Using Free Energy Curves From Md Simulation

Thermodynamic Study Of Hydrolysis Reactions In Aqueous Solution From Ab Initio Potential And Molecular Dynamics Simulations

Amino Acid Tautomerization Reactions In Aqueous Solution Via Concerted And Assisted Mechanisms Using Free Energy Curves From Md Simulation

Theoretical Study Of The Neutral Hydrolysis Of Methyl Formate Via A Concerted And Stepwise Water-Assisted Mechanism Using Free-Energy Curves And Molecular Dynamics Simulation

Amino Acid Tautomerization Reactions In Aqueous Solution Via Concerted And Assisted Mechanisms Using Free Energy Curves From Md Simulation

Theoretical Study Of The Neutral Hydrolysis Of Methyl Formate Via A Concerted And Stepwise Water-Assisted Mechanism Using Free-Energy Curves And Molecular Dynamics Simulation

Molecular Dynamics Study Of Formamidine Decomposition In Gas And Solution Phases Via Free Energy Curves From Ab Initio Interaction Potentials

Theoretical Study Of The Neutral Hydrolysis Of Methyl Formate Via A Concerted And Stepwise Water-Assisted Mechanism Using Free-Energy Curves And Molecular Dynamics Simulation

Molecular Dynamics Study Of Formamidine Decomposition In Gas And Solution Phases Via Free Energy Curves From Ab Initio Interaction Potentials

Theoretical Study Of The Neutral Hydrolysis Of Hydrogen Isocyanate In Aqueous Solution Via Assisted-Concerted Mechanisms

Molecular Dynamics Study Of Formamidine Decomposition In Gas And Solution Phases Via Free Energy Curves From Ab Initio Interaction Potentials

Theoretical Study Of The Neutral Hydrolysis Of Hydrogen Isocyanate In Aqueous Solution Via Assisted-Concerted Mechanisms

Calculation Of Free-Energy Curves For The Study Of Hydrolysis Reactions In Aqueous Solution From Ab Initio Potentials And Molecular Dynamics Simulation

Theoretical Study Of The Neutral Hydrolysis Of Hydrogen Isocyanate In Aqueous Solution Via Assisted-Concerted Mechanisms

Calculation Of Free-Energy Curves For The Study Of Hydrolysis Reactions In Aqueous Solution From Ab Initio Potentials And Molecular Dynamics Simulation

Molecular Simulation Of The Hydration Of Ethene To Ethanol Using Ab Initio Potentials And Free Energy Curves

Calculation Of Free-Energy Curves For The Study Of Hydrolysis Reactions In Aqueous Solution From Ab Initio Potentials And Molecular Dynamics Simulation

Molecular Simulation Of The Hydration Of Ethene To Ethanol Using Ab Initio Potentials And Free Energy Curves

Molecular Dynamics Simulation Of The Reaction Of Hydration Of Formaldehyde Using A Potential Based On Solute-Solvent Interaction Energy Components

Molecular Simulation Of The Hydration Of Ethene To Ethanol Using Ab Initio Potentials And Free Energy Curves

Molecular Dynamics Simulation Of The Reaction Of Hydration Of Formaldehyde Using A Potential Based On Solute-Solvent Interaction Energy Components

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Molecular Dynamics Simulation Of The Reaction Of Hydration Of Formaldehyde Using A Potential Based On Solute-Solvent Interaction Energy Components

Proyecto De Máster En Tecnologías De La Industria Agroalimentaria

Molecular Dynamics Simulation Of Acetamide Solvation Using Interaction Energy Components: Application To Structural And Energy Properties

Proyecto De Máster En Tecnologías De La Industria Agroalimentaria

Molecular Dynamics Simulation Of Acetamide Solvation Using Interaction Energy Components: Application To Structural And Energy Properties

Theoretical-Experimental Study Of The Solvation Enthalpy Of Acetone In Dilute Aqueous Solution

Molecular Dynamics Simulation Of Acetamide Solvation Using Interaction Energy Components: Application To Structural And Energy Properties

Theoretical-Experimental Study Of The Solvation Enthalpy Of Acetone In Dilute Aqueous Solution

Molecular Dynamics Simulation Of Aqueous Solutions Using Interaction Energy Components: Application To The Dielectric Properties Of The Acetone-Water System

Theoretical-Experimental Study Of The Solvation Enthalpy Of Acetone In Dilute Aqueous Solution

Molecular Dynamics Simulation Of Aqueous Solutions Using Interaction Energy Components: Application To The Dielectric Properties Of The Acetone-Water System

Molecular Dynamics Simulation Of Aqueous Solutions Using Interaction Energy Components: Application To The Solvation Gibbs Energy

Molecular Dynamics Simulation Of Aqueous Solutions Using Interaction Energy Components: Application To The Dielectric Properties Of The Acetone-Water System

Molecular Dynamics Simulation Of Aqueous Solutions Using Interaction Energy Components: Application To The Solvation Gibbs Energy

Thermodynamic And Dielectric Properties Of Aqueous Solutions Using Esie Charges To Describe Small Solutes

Molecular Dynamics Simulation Of Aqueous Solutions Using Interaction Energy Components: Application To The Solvation Gibbs Energy

Thermodynamic And Dielectric Properties Of Aqueous Solutions Using Esie Charges To Describe Small Solutes

The N-H ⋯ O=c Proton Transfer In Aqueous Solution: A Suitable Procedure For Extracting Atomic Charges

Thermodynamic And Dielectric Properties Of Aqueous Solutions Using Esie Charges To Describe Small Solutes

The N-H ⋯ O=c Proton Transfer In Aqueous Solution: A Suitable Procedure For Extracting Atomic Charges

Study Of The N - H··· O=c Proton Transfer Reaction In Aqueous Solution Using Classical Free Energy Curves

The N-H ⋯ O=c Proton Transfer In Aqueous Solution: A Suitable Procedure For Extracting Atomic Charges

Study Of The N - H··· O=c Proton Transfer Reaction In Aqueous Solution Using Classical Free Energy Curves

Thermodynamic, Structural, And Dynamic Study Of The N-H ··· O=c Hydrogen Bond Association In Aqueous Solution

Study Of The N - H··· O=c Proton Transfer Reaction In Aqueous Solution Using Classical Free Energy Curves

Thermodynamic, Structural, And Dynamic Study Of The N-H ··· O=c Hydrogen Bond Association In Aqueous Solution

Md Simulation Of An Infinitely Dilute Aqueous Solution Of Formamide. Study Of Thermodynamic, Structural, Dynamic, And Spectroscopic Properties

Thermodynamic, Structural, And Dynamic Study Of The N-H ··· O=c Hydrogen Bond Association In Aqueous Solution

Md Simulation Of An Infinitely Dilute Aqueous Solution Of Formamide. Study Of Thermodynamic, Structural, Dynamic, And Spectroscopic Properties

Nonequilibrium Solvation: The Mutual Influence Of Solute And Solvent Dynamics

Md Simulation Of An Infinitely Dilute Aqueous Solution Of Formamide. Study Of Thermodynamic, Structural, Dynamic, And Spectroscopic Properties

Nonequilibrium Solvation: The Mutual Influence Of Solute And Solvent Dynamics

Variational Calculation Of Vibrational Energies Of Triatomic Molecules Using Scf Optimized Modes

Nonequilibrium Solvation: The Mutual Influence Of Solute And Solvent Dynamics

Variational Calculation Of Vibrational Energies Of Triatomic Molecules Using Scf Optimized Modes

Self-Consistent-Field Calculation Of Vibrational Bound States For Triatomic Molecules Using Transformed Jacobi Coordinates

Variational Calculation Of Vibrational Energies Of Triatomic Molecules Using Scf Optimized Modes

Self-Consistent-Field Calculation Of Vibrational Bound States For Triatomic Molecules Using Transformed Jacobi Coordinates

Energy Eigenvalues For Lennard-Jones Potentials Using The Hypervirial Perturbative Method

Self-Consistent-Field Calculation Of Vibrational Bound States For Triatomic Molecules Using Transformed Jacobi Coordinates

Energy Eigenvalues For Lennard-Jones Potentials Using The Hypervirial Perturbative Method

Two-Center Matrix Elements For Kratzer Oscillators

Energy Eigenvalues For Lennard-Jones Potentials Using The Hypervirial Perturbative Method

Two-Center Matrix Elements For Kratzer Oscillators

Erratum: Analytical Expressions For Vibrational Matrix Elements Of Morse Oscillators : P989) 40, 3(1688-1691))

Two-Center Matrix Elements For Kratzer Oscillators

Erratum: Analytical Expressions For Vibrational Matrix Elements Of Morse Oscillators : P989) 40, 3(1688-1691))

Perturbative Virtual Scf Ci Treatment For Energy Levels Of Coupled Oscillator Systems

Erratum: Analytical Expressions For Vibrational Matrix Elements Of Morse Oscillators : P989) 40, 3(1688-1691))

Perturbative Virtual Scf Ci Treatment For Energy Levels Of Coupled Oscillator Systems

Analytical Expressions For Vibrational Matrix Elements Of Morse Oscillators

Perturbative Virtual Scf Ci Treatment For Energy Levels Of Coupled Oscillator Systems

Analytical Expressions For Vibrational Matrix Elements Of Morse Oscillators

Perturbative Multi-Step Adiabatic Treatment For Energy Levels Of Multidimensional Coupled Systems

Analytical Expressions For Vibrational Matrix Elements Of Morse Oscillators

Perturbative Multi-Step Adiabatic Treatment For Energy Levels Of Multidimensional Coupled Systems

Perturbed Morse Expansion For Triatomic Molecules

Perturbative Multi-Step Adiabatic Treatment For Energy Levels Of Multidimensional Coupled Systems

Perturbed Morse Expansion For Triatomic Molecules

Variational Heg Calculation Of Vibration Rotation Transition Moments For Diatomic Molecules.

Perturbed Morse Expansion For Triatomic Molecules

Variational Heg Calculation Of Vibration Rotation Transition Moments For Diatomic Molecules.

Scf Calculations Of Excited Vibrational Energy Levels For Normal Modes

Variational Heg Calculation Of Vibration Rotation Transition Moments For Diatomic Molecules.

Scf Calculations Of Excited Vibrational Energy Levels For Normal Modes

Hypervirial Scf Treatment For Vibrational Energy Levels Of Triatomic Molecules

Scf Calculations Of Excited Vibrational Energy Levels For Normal Modes

Hypervirial Scf Treatment For Vibrational Energy Levels Of Triatomic Molecules

Perturbative Calculation Of Energy Levels For Coupled Oscillators Using The Adiabatic Approximation

Hypervirial Scf Treatment For Vibrational Energy Levels Of Triatomic Molecules

Perturbative Calculation Of Energy Levels For Coupled Oscillators Using The Adiabatic Approximation

Rovibrational Energy Levels And Expectation Values For Perturbed Kratzer Oscillators

Perturbative Calculation Of Energy Levels For Coupled Oscillators Using The Adiabatic Approximation

Rovibrational Energy Levels And Expectation Values For Perturbed Kratzer Oscillators

A Procedure To Understanding The C-G To A-T Transversion. Smd Simulations From Guanine Oxidation Pathways Assisted By One H2o2 Molecule In The C-G Basis Pair