Humberto Saint-Martin : rechercher sur Z-Library

Le plus grand référentiel d'articles scientifiques au monde. 70,000,000+ d'articles gratuitement.

Don't use scam websites

Livres
Articles (35)
Les plus populaires
Liste
- Liste
- Tableau

1

A Theoretical Study of the Hydration of Li+by Monte Carlo Simulations with Refined Ab Initio Based Model Potentials

María Luisa San-Román, Mauricio Carrillo-Tripp, Humberto Saint-Martin, Jorge Hernández-Cobos, Iván Ortega-Blake

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2006

Langue:

english

Fichier:

PDF, 508 KB

english, 2006

2

A theoretical study of the hydration of Rb+by Monte Carlo simulations with refined ab initio-based model potentials

María Luisa San-Román, Jorge Hernández-Cobos, Humberto Saint-Martin, Iván Ortega-Blake

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

2010

Langue:

english

Fichier:

PDF, 682 KB

english, 2010

3

Ion hydration in nanopores and the molecular basis of selectivity

Mauricio Carrillo-Tripp, María Luisa San-Román, Jorge Hernańdez-Cobos, Humberto Saint-Martin, Iván Ortega-Blake

Journal:

Biophysical Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 355 KB

english, 2006

4

Ab initio calculations of the pyrophosphate hydrolysis reaction

Humberto Saint-Martin, Iván Ortega Blake, Andrzej Leś, Ludwik Adamowicz

Journal:

Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology

Année:

1991

Langue:

english

Fichier:

PDF, 807 KB

english, 1991

5

The role of hydration in the hydrolysis of pyrophosphate. A Monte Carlo simulation with polarizable-type interaction potentials

Humberto Saint-Martin, Iván Ortega-Blake, Andrzej Leś, Ludwik Adamowicz

Journal:

Biochimica et Biophysica Acta (BBA) - Protein Structure and Molecular Enzymology

Année:

1994

Langue:

english

Fichier:

PDF, 1017 KB

english, 1994

6

Dynamics and Structure of Ln(III)−Aqua Ions: A Comparative Molecular Dynamics Study Using ab Initio Based Flexible and Polarizable Model Potentials

Villa, Alessandra, Hess, Berk, Saint-Martin, Humberto

Journal:

Journal of Physical Chemistry B

Année:

2009

Langue:

english

Fichier:

PDF, 2.42 MB

english, 2009

7

A theoretical study of the confinement of methane in water clusters

Graciela Bravo-Pérez, Humberto Saint-Martin

Journal:

International Journal of Quantum Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 530 KB

english, 2012

8

Molecular Action Mechanism of Amphotericin B and Structural Analogs on Biological Membranes

Carrillo-Tripp, Mauricio, de Vries, Alex H., Hernández, Rogelio, Vargas, Cristina, Saint-Martin, Humberto, Ortega-Blake, Ivan

Journal:

Biophysical Journal

Année:

2010

Langue:

english

Fichier:

PDF, 56 KB

english, 2010

9

Flexible constraints: An adiabatic treatment of quantum degrees of freedom, with application to the flexible and polarizable mobile charge densities in harmonic oscillators model for water

Hess, Berk, Saint-Martin, Humberto, Berendsen, Herman J. C.

Journal:

The Journal of Chemical Physics

Année:

2002

Langue:

english

Fichier:

PDF, 388 KB

english, 2002

10

An application of flexible constraints in Monte Carlo simulations of the isobaric–isothermal ensemble of liquid water and ice Ih with the polarizable and flexible mobile charge densities in harmonic oscillators model

Saint-Martin, Humberto, Hess, Berk, Berendsen, Herman J. C.

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 472 KB

english, 2004

11

A non-polarizable model of water that yields the dielectric constant and the density anomalies of the liquid: TIP4Q

Alejandre, José, Chapela, Gustavo A., Saint-Martin, Humberto, Mendoza, Noé

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 2.78 MB

english, 2011

12

Minimalist Molecular Model for Nanopore Selectivity

Carrillo-Tripp, Mauricio, Saint-Martin, Humberto, Ortega-Blake, Iván

Journal:

Physical Review Letters

Année:

2004

Langue:

english

Fichier:

PDF, 254 KB

english, 2004

13

Aggregation of polyene antibiotics in aqueous solution. An MD study

Hernández-López, Rogelio Antonio, Saint-Martin Posada, Humberto, Ortega-Blake, Ivan

Journal:

Biophysical Journal

Année:

2009

Langue:

english

Fichier:

PDF, 45 KB

english, 2009

14

Ab Initio Study of the Hydrolysis Reactions of Neutral and Anionic Mg−Pyrophosphate Complexes in the Gas Phase

Saint-Martin, Humberto, Vicent, Luis E.

Journal:

Journal of Physical Chemistry A

Année:

1999

Langue:

english

Fichier:

PDF, 134 KB

english, 1999

15

A Molecular Dynamics Calculations of Hole Transfer Rates in DNA Strands

Volobuyev, Maksym, Saint-Martin, Humberto, Adamowicz, Ludwik

Journal:

Journal of Physical Chemistry B

Année:

2007

Langue:

english

Fichier:

PDF, 77 KB

english, 2007

16

Toward an Understanding of the Hydrolysis of Mg−PP i . An ab Initio Study of the Isomerization Reactions of Neutral and Anionic Mg−Pyrophosphate Complexes

Saint-Martin, Humberto, Ruiz-Vicent, Luis E., Ramírez-Solís, Alejandro, Ortega-Blake, Iván

Journal:

Journal of the American Chemical Society

Année:

1996

Langue:

english

Fichier:

PDF, 422 KB

english, 1996

17

Water models based on a single potential energy surface and different molecular degrees of freedom

Saint-Martin, Humberto, Hernández-Cobos, Jorge, Ortega-Blake, Iván

Journal:

The Journal of Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 398 KB

english, 2005

18

Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the Cr[sup 3+] hydration

Martı́nez, José M., Hernández-Cobos, Jorge, Saint-Martin, Humberto, Pappalardo, Rafael R., Ortega-Blake, Ivan, Marcos, Enrique Sánchez

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 392 KB

english, 2000

19

Water liquid-vapor equilibria predicted by refined ab initio derived potentials

Hernández-Cobos, Jorge, Saint-Martin, Humberto, Mackie, A. D., Vega, L. F., Ortega-Blake, Iván

Journal:

The Journal of Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 362 KB

english, 2005

20

A comparative study of the hydration of Na[sup +] and K[sup +] with refined polarizable model potentials

Carrillo-Tripp, Mauricio, Saint-Martin, Humberto, Ortega-Blake, Iván

Journal:

The Journal of Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 1.20 MB

english, 2003

21

A mobile charge densities in harmonic oscillators (MCDHO) molecular model for numerical simulations: The water–water interaction

Saint-Martin, Humberto, Hernández-Cobos, Jorge, Bernal-Uruchurtu, Margarita I., Ortega-Blake, Iván, Berendsen, Herman J. C.

Journal:

The Journal of Chemical Physics

Année:

2000

Langue:

english

Fichier:

PDF, 406 KB

english, 2000

22

Direct Coexistence Methods to Determine the Solubility of Salts in Water from Numerical Simulations. Test Case NaCl

Manzanilla-Granados, Héctor M., Saint-Martín, Humberto, Fuentes-Azcatl, Raúl, Alejandre, José

Journal:

Journal of Physical Chemistry B

Année:

2015

Langue:

english

Fichier:

PDF, 3.81 MB

english, 2015

23

Phase Diagram of Lipid-Cholesterol Mixture: Comparison between Different Force Fields

Favela-Rosales, Fernando, Millán-Pacheco, César, Saint-Martin, Humberto, Carbajal-Tinoco, Mauricio D., Ortega-Blake, Iván

Journal:

Biophysical Journal

Année:

2015

Langue:

english

Fichier:

PDF, 39 KB

english, 2015

24

Liquid methanol Monte Carlo simulations with a refined potential which includes polarizability, nonadditivity, and intramolecular relaxation

Valdéz-González, Maximiliano, Saint-Martin, Humberto, Hernández-Cobos, Jorge, Ayala, Regla, Sanchez-Marcos, Enrique, Ortega-Blake, Ivan

Journal:

The Journal of Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 921 KB

english, 2007

25

[AIP 2007 - México City (México) (10–14 September 2007)] AIP Conference Proceedings - Following the path of experimental data from computational biophysics to nanotechnology

Saint-Martin, Humberto, Díaz-Herrera, Enrique, Juaristi, Eusebio

Année:

2008

Langue:

english

Fichier:

PDF, 583 KB

english, 2008

26

A Four-Site Molecular Model for Simulations of Liquid Methanol and Water–Methanol Mixtures: MeOH-4P

Martínez-Jiménez, Manuel, Saint-Martin, Humberto

Journal:

Journal of Chemical Theory and Computation

Année:

2018

Langue:

english

Fichier:

PDF, 1.75 MB

english, 2018

27

A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence

Luis, Daniel, García-González, Alcione, Saint-Martin, Humberto

Journal:

International Journal of Molecular Sciences

Année:

2016

Langue:

english

Fichier:

PDF, 2.15 MB

english, 2016

28

Experimental and Theoretical Studies on the Implications of Halide Dependent Aqueous Solvation of Sm(II)

Ramirez-Solis, Alejandro, Bartulovich, Caroline, Chciuk, Tesia V., Hernández-Cobos, Jorge, Saint-Martin, Humberto, Maron, Laurent, Anderson, William R., Li, Anna M., Flowers, Robert A

Journal:

Journal of the American Chemical Society

Année:

2018

Langue:

english

Fichier:

PDF, 2.66 MB

english, 2018

29

Hydration of CH 3 HgOH and CH 3 HgCl compared to HgCl 2 , HgClOH, and Hg(OH) 2 : A DFT microsolvation cluster approach

Amaro-Estrada, Jorge I., Hernández-Cobos, Jorge, Saint-Martin, Humberto, Maron, Laurent, Ramírez-Solís, Alejandro

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 4.46 MB

english, 2018

30

Study of the Elusive Hydration of Pb 2+ From the Gas Phase to the Liquid Aqueous Solution: Modeling the Hemidirected Solvation With a Polarizable MCDHO Force-Field

León-Pimentel, César Iván, Martínez-Jiménez, Manuel, Saint-Martin, Humberto

Journal:

Journal of Physical Chemistry B

Année:

2019

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2019

31

Experimental and Theoretical Studies on the Aqueous Solvation and Reactivity of SmCl 2 and Comparison with SmBr 2 and SmI 2

Ramírez-Solís, Alejandro, Bartulovich, Caroline O., León-Pimentel, César Iván, Saint-Martin, Humberto, Anderson, William R., Flowers, Robert A.

Journal:

Inorganic Chemistry

Année:

2019

Langue:

english

Fichier:

PDF, 2.07 MB

english, 2019

32

Study of the Elusive Hydration of Pb 2+ From the Gas Phase to the Liquid Aqueous Solution: Modeling the Hemidirected Solvation With a Polarizable MCDHO Force-Field

León-Pimentel, César Iván, Martínez-Jiménez, Manuel, Saint-Martin, Humberto

Journal:

Journal of Physical Chemistry B

Année:

2019

Fichier:

PDF, 1.97 MB

2019

33

Experimental and Theoretical Studies on the Aqueous Solvation and Reactivity of SmCl 2 and Comparison with SmBr 2 and SmI 2

Ramírez-Solís, Alejandro, Bartulovich, Caroline O., León-Pimentel, César Iván, Saint-Martin, Humberto, Anderson, William R., Flowers, Robert A.

Journal:

Inorganic Chemistry

Année:

2019

Fichier:

PDF, 2.07 MB

2019

34

[AIP CAM-94 Physics meeting - Cancun (Mexico) (Sep 1994)] AIP Conference Proceedings - The use of refined potentials in numerical simulations of biological solutes

Saint-Martin, Humberto

Année:

1995

Fichier:

PDF, 656 KB

1995

35

Proton donor effects on the reactivity of SmI2. Experimental and Theoretical Studies on Methanol Solvation vs. Aqueous Solvation

Flowers, Robert, Ramirez-Solis, Alejandro, Bartulovich, Caroline, Saint-Martin, Humberto, LeÃ³n-Pimentel, CÃ©sar, Boekell, Nicholas

Journal:

Dalton Transactions

Année:

2020

Fichier:

PDF, 3.57 MB

2020