Daniel H Laria: search on Z-Library

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1

Quantum effects on the solvent contribution to the activation free energy

Mauro Ferrario, Daniel Laria, Giovanni Ciccotti, Raymond Kapral

Journal:

Journal of Molecular Liquids

Year:

1994

Language:

english

File:

PDF, 433 KB

english, 1994

2

A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions

Elvira Guàrdia, Jordi Martí, Lino García-Tarrés, Daniel Laria

Journal:

Journal of Molecular Liquids

Year:

2005

Language:

english

File:

PDF, 218 KB

english, 2005

3

Molecular dynamics simulations of AOT-water/formamide reverse micelles: Structural and dynamical properties

Pomata, Matías H. H., Laria, Daniel, Skaf, Munir S., Elola, M. Dolores

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 626 KB

english, 2008

4

[WORLD SCIENTIFIC Proceedings of the International School of Physics - LERICI, Villa Marigola (7 – 18 July 1997)] Classical and Quantum Dynamics in Condensed Phase Simulations - Nonadiabatic molecular dynamics methods for diffusion

LARIA, DANIEL, CICCOTTI, GIOVANNI, COKER, DAVID F., KAPRAL, RAYMOND, FERRARIO, MAURO

Language:

english

File:

PDF, 1.55 MB

english

5

Endoscopic drainage with local infusion of antibiotics to avoid necrosectomy of infected walled-off necrosis

LariÃ±o-Noia, Jose, de la Iglesia-GarcÃa, Daniel, GonzÃ¡lez-Lopez, Jaime, DÃaz-Lopez, Javier, MacÃas-GarcÃa, Fernando, Mejuto, Rafael, Quiroga, Adriano, Mauriz, Violeta, JardÃ, Andrea, Iglesias-G

Journal:

Surgical Endoscopy

Year:

2020

Language:

english

File:

PDF, 918 KB

english, 2020

6

Ion-pair solvation in aqueous clusters

Daniel Laria, Roberto Fernandez-Prini

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 610 KB

english, 1993

7

Solvent structural contributions to the dissolution process of an apolar solute in water

Mario Re, Daniel Laria, Roberto Fernández-Prini

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 493 KB

english, 1996

8

Activation free energy for proton transfer in solution

Daniel Laria, Giovanni Ciccotti, Mauro Ferrario, Raymond Kapral

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 849 KB

english, 1994

9

Reorientational dynamics of water in aqueous ionic solutions at supercritical conditions: A computer simulation study

Elvira Guàrdia, Daniel Laria, Jordi Martí

Journal:

Journal of Molecular Liquids

Year:

2006

Language:

english

File:

PDF, 462 KB

english, 2006

10

Structural and dynamical characteristics of mesoscopic H+[H2O]n clusters

Mariano Galvagno, Daniel Laria, Javier Rodriguez

Journal:

Journal of Molecular Liquids

Year:

2007

Language:

english

File:

PDF, 386 KB

english, 2007

11

Computer simulation study of HNO3 dissociation in aqueous clusters

M.Dolores Elola, Ernesto J. Marceca, Daniel Laria, Darı́o A. Estrin

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 150 KB

english, 2000

12

Dynamical pathways for isomerization processes in the water nonamer

Javier Rodriguez, Gustavo Moriena, Daniel Laria

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 209 KB

english, 2002

13

Hybrid quantum and classical mechanical Monte Carlo simulations of the interaction of hydrogen chloride with solid water clusters

Darı́o A Estrin, Jorge Kohanoff, Daniel H Laria, Ruben O Weht

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 203 KB

english, 1997

14

The role of solvent structure in perturbation methods applied to the dissolution of an apolar solute in water

Mario Re, Daniel Laria, Roberto Fernández-Prini

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1996

Language:

english

File:

PDF, 646 KB

english, 1996

15

Hydrogen Bond Structure and Dynamics in Aqueous Electrolytes at Ambient and Supercritical Conditions

Guàrdia, Elvira, Laria, Daniel, Martí, Jordi

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 144 KB

english, 2006

16

Dynamical Aspects of Isomerization and Melting Transitions in [H 2 O] 8†

Laria, Daniel, Rodriguez, Javier, Dellago, Christoph, Chandler, David

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 81 KB

english, 2001

17

Molecular dynamics study of water clusters containing ion pairs: From contact to dissociation

Laria, Daniel, Fernández-Prini, Roberto

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 590 KB

english, 1995

18

Thermodynamics of dissolution of simple gases in water

Fernandez-Prini, Roberto, Crovetto, Rosa, Japas, Maria L., Laria, Daniel

Journal:

Accounts of Chemical Research

Year:

1985

Language:

english

File:

PDF, 796 KB

english, 1985

19

Structure and dynamics of liquid methanol confined within functionalized silica nanopores

Elola, M. Dolores, Rodriguez, Javier, Laria, Daniel

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.20 MB

english, 2010

20

Computer Simulations of Catanionic Surfactants Adsorbed at Air/Water Interfaces

Rodriguez, Javier, Clavero, Esteban, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 279 KB

english, 2005

21

Confined Polar Mixtures within Cylindrical Nanocavities

Rodriguez, Javier, Elola, M. Dolores, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 2.46 MB

english, 2010

22

Ionic association in asymmetric electrolytes

Corti, Horacio R., Laria, Daniel, Trevani, Liliana N.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1996

Language:

english

File:

PDF, 841 KB

english, 1996

23

Excess protons in water-acetone mixtures

Semino, Rocío, Laria, Daniel

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.38 MB

english, 2012

24

Building up Nanotubes: Docking of “Janus” Cyclodextrins in Solution

Rodriguez, Javier, Semino, Rocío, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 137 KB

english, 2009

25

Dynamics of Solvation-Induced Structural Transitions in Mesoscopic Binary Clusters

Molinero, Valeria, Laria, Daniel, Kapral, Raymond

Journal:

Physical Review Letters

Year:

2000

Language:

english

File:

PDF, 279 KB

english, 2000

26

Ionic aggregates in steam. Part 1.?Equilibrium configurations

Margulis, Claudio, Laria, Daniel, Fernandez-Prini, Roberto

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1996

Language:

english

File:

PDF, 943 KB

english, 1996

27

Protons in Non-ionic Aqueous Reverse Micelles

Rodriguez, Javier, Martí, Jordi, Guàrdia, Elvira, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 160 KB

english, 2007

28

Excess protons in mesoscopic water-acetone nanoclusters

Semino, Rocío, Martí, Jordi, Guàrdia, Elvira, Laria, Daniel

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

29

Clustering and percolation in dipolar hard-sphere fluids

Laría, Daniel, Vericat, Fernando

Journal:

Physical Review A

Year:

1991

Language:

english

File:

PDF, 377 KB

english, 1991

30

Surface Behavior of N -Dodecylimidazole at Air/Water Interfaces

Rodriguez, Javier, Laria, Daniel

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 409 KB

english, 2007

31

Coaxial Cross-Diffusion through Carbon Nantoubes

Rodriguez, Javier, Elola, M. Dolores, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.23 MB

english, 2009

32

Liquid Methanol Confined within Functionalized Silica Nanopores. 2. Solvation Dynamics of Coumarin 153

Elola, M. Dolores, Rodriguez, Javier, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.27 MB

english, 2011

33

Protons in Supercritical Water: A Multistate Empirical Valence Bond Study

Laria, Daniel, Martí, Jordi, Guàrdia, Elvira

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 148 KB

english, 2004

34

Electronic States at the Water/Air Interface †

Rodriguez, Javier, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 135 KB

english, 2005

35

Study of Redox Species and Oxygen Vacancy Defects at TiO 2 −Electrolyte Interfaces

da Silva, Robson, Rego, Luis G. C., Freire, José A., Rodriguez, Javier, Laria, Daniel, Batista, Victor S.

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.72 MB

english, 2010

36

Confinement of Polar Solvents within β-Cyclodextrins

Rodriguez, Javier, Hernán Rico, Daniel, Domenianni, Luis, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 694 KB

english, 2008

37

Hybrid Quantum Classical Molecular Dynamics Simulation of the Proton-Transfer Reaction of HO - with HBr in Aqueous Clusters

Elola, M. Dolores, Estrin, Dario A., Laria, Daniel

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 107 KB

english, 1999

38

Path Integral−Molecular Dynamics Study of Electronic States in Supercritical Water

Laria, Daniel, Skaf, Munir S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 103 KB

english, 2002

39

Molecular Dynamics Study of Solvation of Coumarin-314 at the Water/Air Interface

Pantano, Diego A., Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 131 KB

english, 2003

40

Polar Mixtures under Nanoconfinement

Rodriguez, Javier, Elola, M. Dolores, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 1.75 MB

english, 2009

41

Surface Isotope Segregation as a Probe of Temperature in Water Nanoclusters

Videla, Pablo E., Rossky, Peter J., Laria, Daniel

Journal:

The Journal of Physical Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 582 KB

english, 2014

42

Solvation of Coumarin 314 at Water/Air Interfaces Containing Anionic Surfactants. I. Low Coverage

Pantano, Diego A., Sonoda, Milton T., Skaf, Munir S., Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 292 KB

english, 2005

43

Dynamics of Solvation in Supercritical Water

Re, Mario, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 253 KB

english, 1997

44

Equilibrium and Dynamical Aspects of Solvation of Coumarin-151 in Polar Nanoclusters

Tamashiro, Alejandro, Rodriguez, Javier, Laria, Daniel

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 113 KB

english, 2002

45

1996 Polanyi Award Lecture Proton reactions in clusters

Kapral, Raymond, Consta, Styliani, Laria, Daniel

Journal:

Canadian Journal of Chemistry

Year:

1997

File:

PDF, 168 KB

1997

46

Solvation response of polar liquid mixtures: Water-dimethylsulfoxide

Laria, Daniel, Skaf, Munir S.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 438 KB

english, 1999

47

Solvation dynamics of coumarin 153 in dimethylsulfoxide–water mixtures: Molecular dynamics simulations

Martins, Lucimara R., Tamashiro, Alejandro, Laria, Daniel, Skaf, Munir S.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 367 KB

english, 2003

48

Mixing and segregation in binary polar-molecule clusters

Molinero, Valeria, Laria, Daniel, Kapral, Raymond

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 627 KB

english, 1998

49

Solvation effects on a model SN2 reaction in water clusters

Re, Mario, Laria, Daniel

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 732 KB

english, 1996

50

Exploring the Picosecond Time Domain of the Solvation Dynamics of Coumarin 153 within β-Cyclodextrins

Rodriguez, Javier, Martí, Jordi, Guàrdia, Elvira, Laria, Daniel

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 477 KB

english, 2008

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