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ResearcherID: F-8505-2016
Scopus Author ID: 8584153500

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Works (33)

Theoretical study of enzymatically catalyzed tautomerization of carbon acids in aqueous solution: quantum calculations and steered molecular dynamics simulations

Journal of Molecular Modeling
2016 | Journal article
DOI: 10.1007/s00894-016-2914-3
EID:

2-s2.0-84961295490
Contributors: Tolosa, S.; Hidalgo, A.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

A computational model of the glycine tautomerization reaction in aqueous solution

Journal of Molecular Modeling
2014 | Journal article
DOI: 10.1007/s00894-014-2147-2
EID:

2-s2.0-84899071960
Contributors: Tolosa, S.; Hidalgo, A.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Amide-imide tautomerism of acetohydroxamic acid in aqueous solution: Quantum calculation and SMD simulations

RSC Advances
2014 | Journal article
DOI: 10.1039/c4ra06124a
EID:

2-s2.0-84907494609
Contributors: Tolosa, S.; Mora-Diez, N.; Hidalgo, A.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Thermodynamic study of hydrolysis reactions in aqueous solution from Ab initio potential and molecular dynamics simulations

Journal of Chemistry
2013 | Journal article
DOI: 10.1155/2013/265958
EID:

2-s2.0-84867808120
Contributors: Tolosa, S.; Hidalgo, A.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Amino acid tautomerization reactions in aqueous solution via concerted and assisted mechanisms using free energy curves from md simulation

Journal of Physical Chemistry B
2012 | Journal article
DOI: 10.1021/jp307391s
EID:

2-s2.0-84868217811
Contributors: Tolosa, S.; Hidalgo, A.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Neutral Hydrolysis of Methyl Formate from Ab initio Potentials and Molecular Dynamics Simulation

Advances in the Theory of Quantum Systems in Chemistry and Physics
2011-09 | Other
DOI: 10.1007/978-94-007-2076-3_23
Contributors: S. Tolosa Arroyo; A. Hidalgo Garcia; J. A. Sansón Martín
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

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

Struct Chem
2011-03 | Journal article
DOI: 10.1007/s11224-011-9777-0
Contributors: S. Tolosa Arroyo; A. Hidalgo García; M. Moreno Alvero; J. A. Sansón Martín
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Molecular dynamics study of formamidine decomposition in gas and solution phases via free energy curves from ab initio interaction potentials

Theor Chem Acc
2010-06 | Journal article
DOI: 10.1007/s00214-010-0774-y
Contributors: S. Tolosa Arroyo; A. Hidalgo Garcia; J. A. Sansón Martín
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Theoretical Study of the Neutral hydrolisis of hydrogen Isocyanate in aqueos solution via assisted-concerted Mechanism

Journal of Physical Chemistry A
2009 | Journal article
Source: Self-asserted source
Jorge Sansón Martín

Calculation of free-energy curves for the study of hydrolysis reactions in aqueous solution from ab initio potentials and molecular dynamics simulation

Chemical Physics
2008-11 | Journal article
DOI: 10.1016/j.chemphys.2008.07.023
Contributors: S. Tolosa Arroyo; A. Hidalgo Garcia; J.A. Sansón Martín
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

MOLECULAR DYNAMICS SIMULATION OF THE REACTION OF HYDRATION OF FORMALDEHYDE USING A POTENTIAL BASED ON SOLUTE-SOLVENT INTERACTION ENERGY COMPONENTS

Journal of Physical Chemistry A
2007 | Journal article
Source: Self-asserted source
Jorge Sansón Martín

Molecular Simulation of the Hydration of Ethene to Ethanol Using Ab Initio Potentials and Free Energy Curves

J. Phys. Chem. A
2007 | Journal article
DOI: 10.1021/jp0757661
Contributors: S. Tolosa Arroyo; J. C. Corchado Martin-Romo; A. Hidalgo Garcia; J. A. Sansón Martín
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Molecular Dynamics Simulation of the Reaction of Hydration of Formaldehyde Using a Potential Based on Solute−Solvent Interaction Energy Components

J. Phys. Chem. A
2007-01 | Journal article
DOI: 10.1021/jp065797g
Contributors: S. Tolosa Arroyo; J. A. Sansón Martín; A. Hidalgo García
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Importance of anharmonicity, recrossing effects, and quantum mechanical tunneling in transition state theory with semiclassical tunneling. A test case: The H2 + CI hydrogen abstraction reaction

Journal of Physical Chemistry A
2006 | Journal article
DOI: 10.1021/jp052849d
EID:

2-s2.0-31544443848
Contributors: Sansón, J.A.; Sánchez, M.-L.; Corchado, J.C.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Product angular distribution for the H + CD4 → HD + CD 3 reaction

Journal of Physical Chemistry A
2006 | Journal article
DOI: 10.1021/jp063298+
EID:

2-s2.0-33749630779
Contributors: Rangel, C.; Sansón, J.; Corchado, J.C.; Espinosa-Garcia, J.; Nyman, G.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Quasi-classical trajectory calculations analyzing the role of bending mode excitations of methane in the Cl + CH4 reaction

Journal of Physical Chemistry A
2006 | Journal article
DOI: 10.1021/jp062826e
EID:

2-s2.0-33748281593
Contributors: Sansón, J.; Corchado, J.C.; Rangel, C.; Espinosa-García, J.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Quasiclassical trajectory calculations comparing the reactivity and dynamics of symmetric and asymmetric stretch and the role of the bending mode excitations of methane in the Cl+CH4 reaction

Journal of Chemical Physics
2006 | Journal article
DOI: 10.1063/1.2172608
EID:

2-s2.0-33244486736
Contributors: Sansón, J.; Corchado, J.C.; Rangel, C.; Espinosa-Garcia, J.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Molecular dynamics simulation of acetamide solvation using interaction energy components: Application to structural and energy properties

Chemical Physics
2006-08 | Journal article
DOI: 10.1016/j.chemphys.2006.04.018
Contributors: S. Tolosa Arroyo; J.A. Sansón Martín; A. Hidalgo García
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Theoretical-experimental study of the solvation enthalpy of acetone in dilute aqueous solution

Chemical Physics
2005 | Journal article
Source: Self-asserted source
Jorge Sansón Martín

Theoretical–experimental study of the solvation enthalpy of acetone in dilute aqueous solution

Chemical Physics
2005-08 | Journal article
DOI: 10.1016/j.chemphys.2005.03.023
Contributors: S. Tolosa Arroyo; J.A. Sansón Martín; A. Hidalgo García
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Molecular dynamics simulation of aqueous solutions using interaction energy components: Application to the dielectric properties of the acetone–water system

Molecular Simulation
2005-07 | Journal article
DOI: 10.1080/08927020500183265
Contributors: S. Tolosa Arroyo; J. A. Sansón Martín; A. Hidalgo García
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Molecular Dynamics Simulation of Aqueous Solutions Using Interaction Energy Components: Application to the Solvation Gibbs Energy

J Solution Chem
2005-04 | Journal article
DOI: 10.1007/s10953-005-5191-9
Contributors: S. Tolosa Arroyo; J. A. Sansón Martín; A. Hidalgo García
Source: Self-asserted source
Jorge Sansón Martín via Crossref Metadata Search

Thermodynamic and dielectric properties of aqueous solutions using ESIE charges to describe small solutes

Chemical Physics
2003 | Journal article
Source: Self-asserted source
Jorge Sansón Martín

The N-H····O=C proton transfer in aqueous solution: A suitable procedure for extracting atomic charge

Chemical Physics Letters
2002 | Journal article
Source: Self-asserted source
Jorge Sansón Martín

Study of the N-H····O=C proton transfer reaction in aqueous solution using classical free energy curves

Chemical Physics
2001 | Journal article
Source: Self-asserted source
Jorge Sansón Martín

Thermodynamic, structural, and dynamic study of the N-H ··· O=C hydrogen bond association in aqueous solution

Chemical Physics
2000 | Journal article
DOI: 10.1016/S0301-0104(00)00053-7
EID:

2-s2.0-0034654949
Contributors: Tolosa, S.; Hidalgo, A.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

MD simulation of an infinitely dilute aqueous solution of formamide. Study of thermodynamic, structural, dynamic, and spectroscopic properties

Journal of Solution Chemistry
1999 | Journal article
EID:

2-s2.0-0033454407
Contributors: Tolosa, S.; Hidalgo, A.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

The SiH4+H→SiH3+H2 reaction: Potential energy surface, rate constants, and kinetic isotope effects

Journal of Chemical Physics
1998 | Journal article
DOI: 10.1063/1.476581
EID:

2-s2.0-0000198914
Contributors: Espinosa-García, J.; Sansón, J.; Corchado, J.C.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

MD study of an infinitely dilute aqueous solution of formaldehyde using different ab initio potentials

Chemical Physics
1997 | Journal article
EID:

2-s2.0-0031268016
Contributors: Tolosa, S.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Molecular dynamics study of infinitely dilute aqueous solutions of small biological molecules. Calculation of the static and dynamic properties of formaldehyde

Chemical Physics
1996 | Journal article
EID:

2-s2.0-0030589425
Contributors: Tolosa, S.; Sansón, J.A.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Macroscopic properties of the argon system using molecular dynamics simulation with different ab initio energies and analytic functions

Journal of Molecular Structure: THEOCHEM
1995 | Journal article
DOI: 10.1016/0166-1280(94)03947-J
EID:

2-s2.0-58149209902
Contributors: Tolosa, S.; Sansón, J.A.; del Valle, F.J.O.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Calculations of the second virial coefficient and of the transport properties using BSSE-corrupted ab initio potentials

Journal of Molecular Structure: THEOCHEM
1994 | Journal article
DOI: 10.1016/0166-1280(94)80178-9
EID:

2-s2.0-43949150944
Contributors: Tolosa, S.; Sansón, J.A.; Olivares del Valle, F.J.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier

Reliability of the ab initio potentials for simple van der Waals systems based on second virial and thermal diffusion coefficients

Journal of Molecular Structure: THEOCHEM
1994 | Journal article
DOI: 10.1016/0166-1280(94)80142-8
EID:

2-s2.0-43949149107
Contributors: Tolosa, S.; Sansón, J.A.; del Valle, F.J.O.
Source: Self-asserted source
Jorge Sansón Martín via Scopus - Elsevier
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