Volume 10; Issue 32

Physical Chemistry Chemical Physics

Volume 10; Issue 32

1

Molecular dynamics investigation of the intrinsic structure of water–fluid interfaces via the intrinsic sampling method

Bresme, Fernando, Chacón, Enrique, Tarazona, Pedro

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.06 MB

english, 2008

2

Thermodynamics of water intrusion in nanoporous hydrophobic solids

Cailliez, Fabien, Trzpit, Mickael, Soulard, Michel, Demachy, Isabelle, Boutin, Anne, Patarin, Joël, Fuchs, Alain H.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.27 MB

english, 2008

3

Melting behavior of water in cylindrical pores: carbon nanotubes and silica glasses

Sliwinska-Bartkowiak, M., Jazdzewska, M., Huang, L. L., Gubbins, K. E.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.17 MB

english, 2008

4

Solvent structures of mixed water/acetonitrile mixtures at chromatographic interfaces from computer simulations

Braun, Jörg, Fouqueau, Antony, Bemish, Raymond J., Meuwly, Markus

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 2.87 MB

english, 2008

5

Molecular dynamics study of hydrated imogolite : 2. Structure and dynamics of confined water

Creton, Benoît, Bougeard, Daniel, Smirnov, Konstantin S., Guilment, Jean, Poncelet, Olivier

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 2.04 MB

english, 2008

6

Water confined in reverse micelles–probe tool in biomedical informatics

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 854 KB

english, 2008

7

Water at interfaces

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 254 KB

english, 2008

8

Characterization of interfacial water in MOF-5 (Zn4(O)(BDC)3)—a combined spectroscopic and theoretical study

Schröck, K., Schröder, F., Heyden, M., Fischer, R. A., Havenith, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 980 KB

english, 2008

9

Raman spectra of complexes of HNO3 and NO3− with NO2 at surfaces and with N2O4 in solution

Kamboures, Michael A., van der Veer, Wytze, Benny Gerber, R., Phillips, Leon F.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 805 KB

english, 2008

10

Proton mobility in thin ice films: a revisit

Moon, Eui-Seong, Lee, Chang-Woo, Kang, Heon

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 699 KB

english, 2008

11

Structure and dynamics of water at a clay surface from molecular dynamics simulation

Marry, Virginie, Rotenberg, Benjamin, Turq, Pierre

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.78 MB

english, 2008

12

Average molecular orientations in the adsorbed water layers on silicon oxide in ambient conditions

Barnette, Anna L., Asay, David B., Kim, Seong H.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 822 KB

english, 2008

13

Water–methanol mixtures: topology of hydrogen bonded network

Bakó, Imre, Megyes, Tünde, Bálint, Szabolcs, Grósz, Tamás, Chihaia, Viorel

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.24 MB

english, 2008

14

Gas hydrate nucleation and cage formation at a water/methane interface

Hawtin, Robert W., Quigley, David, Rodger, P. Mark

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 2.04 MB

english, 2008

15

Water hydrogen bond analysis on hydrophilic and hydrophobic biomolecule sites

Russo, Daniela, Ollivier, Jacques, Teixeira, José

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 792 KB

english, 2008

16

Interfacial water structure at polymer gel/quartz interfaces investigated by sum frequency generation spectroscopy

Noguchi, Hidenori, Hiroshi, Minowa, Tominaga, Taiki, Ping Gong, Jian, Osada, Yoshihito, Uosaki, Kohei

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 816 KB

english, 2008

17

Ion spatial distributions at the liquid–vapor interface of aqueous potassium fluoride solutions

Brown, Matthew A., D’Auria, Raffaella, Kuo, I.-F. William, Krisch, Maria J., Starr, David E., Bluhm, Hendrik, Tobias, Douglas J., Hemminger, John C.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.14 MB

english, 2008

18

Increased interfacial thickness of the NaF, NaCl and NaBr salt aqueous solutions probed with non-resonant surface second harmonic generation (SHG)

Bian, Hong-tao, Feng, Ran-ran, Xu, Yan-yan, Guo, Yuan, Wang, Hong-fei

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 841 KB

english, 2008

19

On “the complete basis set limit” and plane-wave methods in first-principles simulations of water

Rempe, Susan B., Mattsson, Thomas R., Leung, K.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 879 KB

english, 2008

20

Back matter

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 2.83 MB

english, 2008

21

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 505 KB

english, 2008

22

Hydronium and hydroxide at the interface between water and hydrophobic media

Vácha, Robert, Horinek, Dominik, Berkowitz, Max L., Jungwirth, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.26 MB

english, 2008

23

Lattice match in density functional calculations: ice Ih vs. β-AgI

Feibelman, Peter J.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 293 KB

english, 2008

24

An accurate analytic representation of the water pair potential

Cencek, Wojciech, Szalewicz, Krzysztof, Leforestier, Claude, van Harrevelt, Rob, van der Avoird, Ad

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.03 MB

english, 2008

25

Determination of the electron’s solvation site on D2O/Cu(111) using Xe overlayers and femtosecond photoelectron spectroscopy

Meyer, Michael, Stähler, Julia, Kusmierek, Daniela O., Wolf, Martin, Bovensiepen, Uwe

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 910 KB

english, 2008

26

Thermally induced mixing of water dominated interstellar ices

Burke, Daren J., Wolff, Angela J., Edridge, John L., Brown, Wendy A.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 987 KB

english, 2008

27

Electroacoustic and ultrasonic attenuation measurements of droplet size and ζ-potential of alkane-in-water emulsions: effects of oil solubility and composition

Djerdjev, Alex M., Beattie, James K.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.10 MB

english, 2008

28

Assessing the performance of implicit solvation models at a nucleic acid surface

Dong, Feng, Wagoner, Jason A., Baker, Nathan A.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 2.44 MB

english, 2008

29

Influence of wettability and surface charge on the interaction between an aqueous electrolyte solution and a solid surface

Guriyanova, Svetlana, Bonaccurso, Elmar

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 978 KB

english, 2008

30

Aqueous peptides as experimental models for hydration water dynamics near protein surfaces

Malardier-Jugroot, Cecile, Johnson, Margaret E., Murarka, Rajesh K., Head-Gordon, Teresa

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 819 KB

english, 2008

31

Hydration water rotational motion as a source of configurational entropy driving protein dynamics. Crossovers at 150 and 220 K

Zanotti, J.-M., Gibrat, G., Bellissent-Funel, M.-C.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 898 KB

english, 2008

32

Gas phase hydration of organic ions

Momoh, Paul O., El-Shall, M. Samy

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.12 MB

english, 2008

33

A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O–H–OH2]+ cluster

Vendrell, Oriol, Meyer, Hans-Dieter

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.58 MB

english, 2008

34

Spectroscopic and computational evidence for SO2 ionization on 128 K ice surface

Jagoda-Cwiklik, B., Devlin, J. P., Buch, V.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 937 KB

english, 2008

35

Water photodissociation in free ice nanoparticles at 243 nm and 193 nm

Poterya, Viktoriya, Fárník, Michal, Ončák, Milan, Slavíček, Petr

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 953 KB

english, 2008

36

Contents

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 3.87 MB

english, 2008

37

A macroscopic water structure based model for describing charging phenomena at inert hydrophobic surfaces in aqueous electrolyte solutions

Lützenkirchen, Johannes, Preočanin, Tajana, Kallay, Nikola

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.35 MB

english, 2008

38

Aqueous divalent metal–nitrate interactions: hydration versus ion pairing

Xu, Man, Larentzos, James P., Roshdy, Mazen, Criscenti, Louise J., Allen, Heather C.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.88 MB

english, 2008

39

Molecular level structure of the liquid/liquid interface. Molecular dynamics simulation and ITIM analysis of the water-CCl4 system

Pártay, Lívia B., Horvai, George, Jedlovszky, Pál

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.25 MB

english, 2008

40

Breakdown of hydration repulsion between charged surfaces in aqueous Cs+ solutions

Goldberg, Ronit, Chai, Liraz, Perkin, Susan, Kampf, Nir, Klein, Jacob

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 890 KB

english, 2008

41

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 505 KB

english, 2008

42

Trapping proton transfer intermediates in the disordered hydrogen-bonded network of cryogenic hydrofluoric acid solutions

Ayotte, Patrick, Plessis, Sylvain, Marchand, Patrick

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1005 KB

english, 2008

43

Co-adsorption of water and hydrogen on Ni(111)

Shan, Junjun, Aarts, Jacques F. M., Kleyn, Aart W., Juurlink, Ludo B. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.38 MB

english, 2008