Manuel F. Ruiz-López : rechercher sur Z-Library

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1

Negative pressure therapy in wounds with enteric fistulas

Manuel Ruiz-López, Joaquín Carrasco Campos, Belinda Sánchez Pérez, Antonio González Sánchez, José Luis Fernández Aguilar, José Antonio Bondía Navarro

Journal:

Cirugía Española (English Edition)

Année:

2009

Fichier:

PDF, 242 KB

2009

2

Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability

Meyer, Benjamin, Guillot, Benoît, Ruiz-Lopez, Manuel F., Jelsch, Christian, Genoni, Alessandro

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 634 KB

english, 2016

3

Correction to Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability

Meyer, Benjamin, Guillot, Benoît, Ruiz-Lopez, Manuel F., Jelsch, Christian, Genoni, Alessandro

Journal:

Journal of Chemical Theory and Computation

Année:

2016

Langue:

english

Fichier:

PDF, 114 KB

english, 2016

4

Molecular dynamics of hydrogen peroxide in liquid water using a combined quantum/classical force field

Marilia T.C. Martins-Costa, Manuel F. Ruiz-López

Journal:

Chemical Physics

Année:

2007

Langue:

english

Fichier:

PDF, 1.53 MB

english, 2007

5

Extension of the composite CBS-QB3 method to singlet diradical calculations

Baptiste Sirjean, René Fournet, Pierre-Alexandre Glaude, Manuel F. Ruiz-López

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 250 KB

english, 2007

6

Combined AM1/MM3 computations on organic systems: the Diels–Alder reaction as a test case

Luis Salvatella, Ahmed Mokrane, Alain Cartier, Manuel F Ruiz-López

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 121 KB

english, 1998

7

Negative pressure therapy as palliative treatment for a colonic fistula

Manuel Ruiz-Lopez, Alberto Titos, Ivan Gonzalez-Poveda, Joaquin Carrasco, Jose Antonio Toval, Santiago Mera, Julio Santoyo

Journal:

International Wound Journal

Année:

2012

Langue:

english

Fichier:

PDF, 595 KB

english, 2012

8

Study of the Low Temperature Oxidation of Propane

Cord, Maximilien, Husson, Benoit, Lizardo Huerta, Juan Carlos, Herbinet, Olivier, Glaude, Pierre-Alexandre, Fournet, René, Sirjean, Baptiste, Battin-Leclerc, Frédérique, Ruiz-Lopez, Manuel, Wang, Zhan

Journal:

Journal of Physical Chemistry A

Année:

2012

Langue:

english

Fichier:

PDF, 2.86 MB

english, 2012

9

Spectroscopic characterisation of crusts interstratified with prehistoric paintings preserved in open-air rock art shelters

Hernanz, Antonio, Ruiz-López, Juan F., Madariaga, Juan Manuel, Gavrilenko, Egor, Maguregui, Maite, Fdez-Ortiz de Vallejuelo, Silvia, Martínez-Arkarazo, Irantzu, Alloza-Izquierdo, Ramiro, Baldellou-Mar

Journal:

Journal of Raman Spectroscopy

Année:

2014

Langue:

english

Fichier:

PDF, 2.44 MB

english, 2014

10

Study of the effect of different fermenting microorganisms on the Se, Cu, Cr, and Mn contents in fermented goat and cow milks

Quintana, Aida Verónica, Olalla-Herrera, Manuel, Ruiz-López, María Dolores, Moreno-Montoro, Miriam, Navarro-Alarcón, Miguel

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 392 KB

english, 2015

11

Molecular reactions at aqueous interfaces

Ruiz-Lopez, Manuel F., Francisco, Joseph S., Martins-Costa, Marilia T. C., Anglada, Josep M.

Journal:

Nature Reviews Chemistry

Année:

2020

Fichier:

PDF, 3.28 MB

2020

12

Conformational analysis of 2-cyano-1,1-dihydroxyethane in solution

Viktorya Aviyente, Tereza Varnali, Manuel F. Ruiz-López

Journal:

Journal of Physical Organic Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 536 KB

english, 1996

13

Theoretical Study of the [2+2] Cycloaddition of Thioketenes with Imines To Form β-Thiolactams

Ramón López, Dimas Suárez, Tomás L. Sordo, Manuel F. Ruiz-López

Journal:

Chemistry - A European Journal

Année:

1998

Langue:

english

Fichier:

PDF, 201 KB

english, 1998

14

The Mechanism of Formamide Hydrolysis in Water from Ab Initio Calculations and Simulations

Leonid Gorb, Amparo Asensio, Iñaki Tuñón, Manuel F. Ruiz-López

Journal:

Chemistry - A European Journal

Année:

2005

Langue:

english

Fichier:

PDF, 194 KB

english, 2005

15

Theoretical Evaluation of the Substrate-Assisted Catalysis Mechanism for the Hydrolysis of Phosphate Monoester Dianions

Nathalie Iché-Tarrat, Manuel Ruiz-Lopez, Jean-Claude Barthelat, Alain Vigroux

Journal:

Chemistry - A European Journal

Année:

2007

Langue:

english

Fichier:

PDF, 362 KB

english, 2007

16

Protonation of Water Clusters Induced by Hydroperoxyl Radical Surface Adsorption

Dr. Miquel Torrent-Sucarrat, Dr. Manuel F. Ruiz-Lopez, Dr. Marilia Martins-Costa, Prof. Joseph S. Francisco, Dr. Josep M. Anglada

Journal:

Chemistry - A European Journal

Année:

2011

Langue:

english

Fichier:

PDF, 624 KB

english, 2011

17

Structure of the HOOO Radical in Liquid Water: A Theoretical Study

Stéphanie Chalmet, Manuel F. Ruiz-López

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 112 KB

english, 2006

18

Glycine Dimers: Structure, Stability, and Medium Effects

Dr. Pascale Friant-Michel, Dr. Manuel F. Ruiz-López

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 286 KB

english, 2010

19

Electrostatic component of solvation: Comparison of SCRF continuum models

Carles Curutchet, Christopher J. Cramer, Donald G. Truhlar, Manuel F. Ruiz-López, , Daniel Rinaldi, Modesto Orozco, F. Javier Luque

Journal:

Journal of Computational Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 125 KB

english, 2003

20

Coupled density functional/molecular mechanics Monte Carlo simulations of ions in water. The bromide ion

Iñaki Tuñón, Marilia T.C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López

Journal:

Chemical Physics Letters

Année:

1995

Langue:

english

Fichier:

PDF, 583 KB

english, 1995

21

Modifications of circular dichroism by electrostatic influence of the solvent. A theoretical approach in the random phase approximation

Manuel F. Ruiz-Lopez, Daniel Rinaldi

Journal:

Chemical Physics

Année:

1984

Langue:

english

Fichier:

PDF, 685 KB

english, 1984

22

Levels of Se, Zn, Mg and Ca in commercial goat and cow milk fermented products: Relationship with their chemical composition and probiotic starter culture

Miguel Navarro-Alarcón, Carmen Cabrera-Vique, Ma Dolores Ruiz-López, Manuel Olalla, Reyes Artacho, Rafael Giménez, Verónica Quintana, Triana Bergillos

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 183 KB

english, 2011

23

The gas phase reaction of carbonyl oxide with hydroxyl radical in presence of water vapor. A theoretical study on the reaction mechanism

Alex Mansergas, Javier González, Manuel Ruiz-López, Josep M. Anglada

Journal:

Computational and Theoretical Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 903 KB

english, 2011

24

Foreword

Josep M. Anglada, Manuel F. Ruiz-Lopez

Journal:

Computational and Theoretical Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 121 KB

english, 2011

25

Structure of levofloxacin in hydrophilic and hydrophobic media: Relationship to its antibacterial properties

Alexandrine Lambert, Jean-Bernard Regnouf-de-Vains, Manuel F. Ruiz-López

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 217 KB

english, 2007

26

Nitrogen fractions of Andalusian goat milk compared to similar types of commercial milk

Manuel Olalla, MªDolores Ruiz-López, Miguel Navarro, Reyes Artacho, Carmen Cabrera, Rafael Giménez, Cristina Rodriguez, Raquel Mingorance

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 148 KB

english, 2009

27

Theoretical study of solvent effects on the conformational equilibrium and electronic spectra of 2,2′-bipyridine derivatives

Catherine Blanchet-Boiteux, Pascale Friant-Michel, Alain Marsura, Jean-Bernard Regnouf-de-Vains, Manuel F. Ruiz-López

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2007

Langue:

english

Fichier:

PDF, 206 KB

english, 2007

28

New approaches to the description of short-range repulsion interactions in hybrid quantum/classical systems

Stéphanie Chalmet, Manuel F. Ruiz-López

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 133 KB

english, 2000

29

Solvent effects on ozonolysis reaction intermediates

Emma del Rio, Philippe Aplincourt, Manuel F Ruiz-López

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 122 KB

english, 1997

30

Conformational aspects of some asymmetric Diels-Alder reactions. A molecular mechanics + polarization study

Francisco Torrens, Manuel Ruiz-López, Carlos Cativiela, José I. García, José A. Mayoral

Journal:

Année:

1992

Langue:

english

Fichier:

PDF, 602 KB

english, 1992

31

Combined QM/MM calculations in chemistry and biochemistry

Manuel F. Ruiz-Lopez

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 35 KB

english, 2003

32

Analysis of interaction modes in calix[4]arene–levofloxacin complexes by quantum methods

Alexandrine Lambert, Jean-Bernard Regnouf-de-Vains, Daniel Rinaldi, Manuel F. Ruiz-Lopez

Journal:

Journal of Physical Organic Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 235 KB

english, 2006

33

Structure, stability, and dynamics of hydrogen polyoxides

Marilia Martins-Costa, Josep M. Anglada, Manuel F. Ruiz-López

Journal:

International Journal of Quantum Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2011

34

Combined ab initio and classical molecular dynamics simulations of alkyl-lithium aggregates in ethereal solutions

Hassan K. Khartabil, Marilia T. C. Martins-Costa, Philippe C. Gros, Yves Fort, Manuel F. Ruiz-López

Journal:

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

Année:

2008

Langue:

english

Fichier:

PDF, 301 KB

english, 2008

35

Molecular dynamics simulation in aqueous solution of N-methylazetidinone as a model of β-lactam antibiotics

Jesús Pitarch, Juan-Luis Pascual-Ahuir, Estanislao Silla, Iñaki Tuñón, Manuel F. Ruiz-López, Claude Millot, Juan Bertrán

Journal:

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

Année:

1999

Langue:

english

Fichier:

PDF, 183 KB

english, 1999

36

Intramolecular proton transfer of serine in aqueous solution. Mechanism and energetics

Francisco R. Tortonda, Estanislao Silla, Iñaki Tuñón, Daniel Rinaldi, Manuel F. Ruiz-López

Journal:

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

Année:

2000

Langue:

english

Fichier:

PDF, 215 KB

english, 2000

37

Insights in the Peptide Hydrolysis Mechanism by Thermolysin: A Theoretical QM/MM study

Serge Antonczak, Gérald Monard, Manuel Ruiz-López, Jean-Louis Rivail

Journal:

Journal of Molecular Modeling

Année:

2000

Langue:

english

Fichier:

PDF, 339 KB

english, 2000

38

A Hybrid Density Functional-Classical Molecular Dynamics Simulation of a Water Molecule in Liquid Water

Iñaki Tuñón, Marilia Teresa C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López

Journal:

Journal of Molecular Modeling

Année:

1995

Langue:

english

Fichier:

PDF, 166 KB

english, 1995

39

The Hydrolysis Mechanism of Formamide Revisited: Comparison Between ab initio, Semiempirical and DFT Results

Serge Antonczak, Manuel Ruiz-López, Jean-Louis Rivail

Journal:

Journal of Molecular Modeling

Année:

1997

Langue:

english

Fichier:

PDF, 119 KB

english, 1997

40

Hyperconjugation in adjacent OO bonds: Remarkable odd/even effects

Marilia Martins-Costa, Josep M. Anglada, Manuel F. Ruiz-López

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 349 KB

english, 2009

41

On the tautomerization process of glycine in aqueous solution

Iñaki Tuñón, Estanislao Silla, Manuel F. Ruiz-López

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 147 KB

english, 2000

42

Role of electronic polarization on the liquid phase affinity of calixarene–crown-ethers towards alkali cations: a QM/MM molecular dynamics simulation

Jérôme Golebiowski, Véronique Lamare, Marilia T.C. Martins-Costa, Claude Millot, Manuel F. Ruiz-López

Journal:

Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 1.24 MB

english, 2001

43

Effect of solvent fluctuations on proton transfer dynamics: a hybrid AM1/MM molecular dynamics simulation on the [H3N–H–NH3]+ system

Guo-Sheng Li, Marı́lia T.C. Martins Costa, Claude Millot, Manuel F. Ruiz-López

Journal:

Chemical Physics

Année:

1999

Langue:

english

Fichier:

PDF, 213 KB

english, 1999

44

Cavity Closure Dynamics of Peracetylated β-Cyclodextrins in Supercritical Carbon Dioxide

Altarsha, Muhannad, Ingrosso, Francesca, Ruiz-López, Manuel F.

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 528 KB

english, 2012

45

Simulation of amino acid diffusion across water/hydrophobic interfaces

Martins-Costa, Marilia T. C., Ruiz-López, Manuel F.

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 2.12 MB

english, 2011

46

Permeation selectivity of gaseous isotopes through dense polymers: Peculiar behavior of the hydrogen isotopes

Pierre Agrinier, Denis Roizard, Manuel F. Ruiz-lopez, Eric Favre

Journal:

Journal of Membrane Science

Année:

2008

Langue:

english

Fichier:

PDF, 383 KB

english, 2008

47

Solvent effects on molecular geometries and isomerization processes: a study of push-pull ethylenes in solution

Pappalardo, Rafael R., Sanchez Marcos, Enrique, Ruiz-Lopez, Manuel F., Rinaldi, Daniel, Rivail, Jean Louis

Journal:

Journal of the American Chemical Society

Année:

1993

Langue:

english

Fichier:

PDF, 1.09 MB

english, 1993

48

Hydroxide Ion in Liquid Water: Structure, Energetics, and Proton Transfer Using a Mixed Discrete-Continuum ab Initio Model

Tunon, Inaki, Rinaldi, Daniel, Ruiz-Lopez, Manuel F., Rivail, Jean Louis

Journal:

Journal of Physical Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 2.43 MB

english, 1995

49

Reactivity of Atmospherically Relevant Small Radicals at the Air–Water Interface

Dr. Marilia T. C. Martins-Costa, Dr. Josep M. Anglada, Prof. Joseph S. Francisco, Dr. Manuel F. Ruiz-Lopez

Journal:

Angewandte Chemie

Année:

2012

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2012

50

Rücktitelbild: Reactivity of Atmospherically Relevant Small Radicals at the Air–Water Interface (Angew. Chem. 22/2012)

Dr. Marilia T. C. Martins-Costa, Dr. Josep M. Anglada, Prof. Joseph S. Francisco, Dr. Manuel F. Ruiz-Lopez

Journal:

Angewandte Chemie

Année:

2012

Fichier:

PDF, 260 KB

2012