PUBLICACIÓN

Structural and thermodynamic studies of cytosine to thymine conversion in gas and solution phases using steered molecular dynamic simulations

ACCEDER A LA PUBLICACIÓN: Scopus Orcid

Tolosa S., Sanson J.A., Hidalgo A.

2019 JOURNAL OF MOLECULAR LIQUIDS

Atomic and Molecular Physics, and Optics (Q1), Condensed Matter Physics (Q1), Electronic, Optical and Magnetic Materials (Q1), Materials Chemistry (Q1), Physical and Theoretical Chemistry (Q1), Spectroscopy (Q1)

JCR: 5.065

SJR: 0.883

CITAS

6

DOI

10.1016/j.molliq.2018.12.152

EID

2-s2.0-85059857391

ISSN

0167-7322

BIBTEX

@article{Tolosa_2019, doi = {10.1016/j.molliq.2018.12.152}, url = {https://doi.org/10.1016%2Fj.molliq.2018.12.152}, year = 2019, month = {mar}, publisher = {Elsevier {BV}}, volume = {278}, pages = {61--69}, author = {S. Tolosa and J.A. Sans{\'{o}}n and A. Hidalgo}, title = {Structural and thermodynamic studies of cytosine to thymine conversion in gas and solution phases using steered molecular dynamic simulations}, journal = {Journal of Molecular Liquids}}

AUTORES DE LA UEX

Antonio Hidalgo García
Jorge Antonio Sansón Martín

OTRAS PUBLICACIONES DE INTERÉS

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Solute-Solvent Interactions. Adaptation Of The Cavity Size As A Function Of The Basis Set
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Solute-Solvent Interactions. Adaptation Of The Cavity Size As A Function Of The Basis Set
The Nature Of The Scf Basis Set Superposition Error. Application Of The Indirect Counterpoise Method In Polyatomic Van Der Waals Molecules
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Analytical Expressions For Vibrational Matrix Elements Of Morse Oscillators
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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
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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.
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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
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Charge Distribution Analysis On Ar-H2 System
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Charge Distribution Analysis On Ar-H2 System
Rotational Predissociation Of The Ar-H2 Van Der Waals Molecule
Charge Distribution Analysis On Ar-H2 System
Rotational Predissociation Of The Ar-H2 Van Der Waals Molecule
Rovibrational Energy Levels And Expectation Values For Perturbed Kratzer Oscillators
Rotational Predissociation Of The Ar-H2 Van Der Waals Molecule
Rovibrational Energy Levels And Expectation Values For Perturbed Kratzer Oscillators
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Ab Initio Calculations Of Intermolecular Potentials. The Ground State Of The Arh2 Van Der Waals Molecule
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Ab Initio Calculations Of Intermolecular Potentials. The Ground State Of The Arh2 Van Der Waals Molecule
Basis Set Superposition Effects In Electronic Populations Calculated On Hydrogen Bonded Systems
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Basis Set Superposition Effects In Electronic Populations Calculated On Hydrogen Bonded Systems
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Basis Set Superposition Effects In Electronic Populations Calculated On Hydrogen Bonded Systems
Tratamiento Ab Initio De Algunas Especies Autoasociadas De Metanol
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
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