Physical Chemistry Chemical Physics

1

Vibrational spectroscopy of a non-aromatic amino acid-based model peptide: identification of the γ-turn motif of the peptide backbone

Compagnon, Isabelle, Oomens, Jos, Bakker, Joost, Meijer, Gerard, von Helden, Gert

Journal:

Year:

2005

Language:

english

File:

PDF, 850 KB

english, 2005

2

Photofragmentation of C60 in the extreme ultraviolet: statistical analysis on the appearance energies of C60–2nz+(n≥ 1, z= 1–3)

Kou, Junkei, Mori, Takanori, Kubozono, Yoshihiro, Mitsuke, Koichiro

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 970 KB

english, 2005

3

High-field EPR spectroscopy applied to biological systems: characterization of molecular switches for electron and ion transfer

M�bius, K., Savitsky, A., Schnegg, A., Plato, M., Fuchs, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 2.87 MB

english, 2005

4

Activity of surface active substances determined from their surface excess

Andersson, Gunther, Krebs, Thomas, Morgner, Harald

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 646 KB

english, 2005

5

FT-IR study of CO adsorption on Pt/CeO2: characterisation and structural rearrangement of small Pt particles

Bazin, P., Saur, O., Lavalley, J. C., Daturi, M., Blanchard, G.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 740 KB

english, 2005

6

Photoinduced oxidation of [Mn(L)3]2+ and [Mn2O2(L)4]3+�(L = 2,2?-bipyridine and 4,4?-dimethyl-2,2?-bipyridine) with the [Ru(bpy)3]2+/-aryl diazonium salt system

Baffert, Carole, Dumas, St�phane, Chauvin, J�r�me, Lepr�tre, Jean-Claude, Collomb, Marie-No�lle, Deronzier, Alain

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 694 KB

english, 2005

7

Real time quantitative Raman spectroscopy of supported metal oxide catalysts without the need of an internal standard

Tinnemans, S. J., Kox, M. H. F., Nijhuis, T. A., Visser, T., Weckhuysen, B. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 653 KB

english, 2005

8

Optimization of auxiliary basis sets for RI-MP2 and RI-CC2 calculations: Core?valence and quintuple-? basis sets for H to Ar and QZVPP basis sets for Li to Kr

H�ttig, Christof

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 577 KB

english, 2005

9

Thiogermanate glasses?influence of the modifier cation?a combined XPS and theoretical study

Foix, D., Martinez, H., Gonbeau, D., Granier, D., Pradel, A., Ribes, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 736 KB

english, 2005

10

Methane clustering in explicit water: effect of urea on hydrophobic interactions

Oostenbrink, Chris, van Gunsteren, Wilfred F.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 567 KB

english, 2005

11

Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics

Zhao, Yan, Lynch, Benjamin J., Truhlar, Donald G.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 576 KB

english, 2005

12

Computer aided design of nano-structured materials with tailored ionic conductivities

Sayle, Dean C., Doig, James A., Parker, Stephen C., Watson, Graeme W., Sayle, Thi X. T.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1012 KB

english, 2005

13

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2005

File:

PDF, 626 KB

2005

14

Highly dispersed magnesium oxide species on silica as photoactive sites for photoinduced direct methane coupling and photoluminescence

Yuliati, Leny, Hattori, Tadashi, Yoshida, Hisao

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 601 KB

english, 2005

15

Isotopic induction of the excited-state single-proton transfer in 7-azaindole dimer

Catal�n, J., P�rez, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 650 KB

english, 2005

16

Entrance channel X?HF (X = Cl, Br and I) complexes studied by high-resolution infrared laser spectroscopy in helium nanodroplets

Merritt, Jeremy M., K�pper, Jochen, Miller, Roger E.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1.06 MB

english, 2005

17

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2005

File:

PDF, 1.03 MB

2005

18

Headgroup organization and hydration of methylated phosphatidylethanolamines in Langmuir monolayers

Dyck, Martina, Kr�ger, Peter, L�sche, Mathias

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 699 KB

english, 2005

19

Correlated ionic hopping processes in crystalline and glassy electrolytes resulting in MIGRATION-type and nearly-constant-loss-type conductivities

Funke, K., Banhatti, R. D., Cramer, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 667 KB

english, 2005

20

Cation extraction by 18-crown-6 to a room-temperature ionic liquid: The effect of solvent humidity investigated by molecular dynamics simulations

Vayssi�re, Philippe, Chaumont, Alain, Wipff, Georges

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1.96 MB

english, 2005

21

High-resolution absorption cross sections of formaldehyde at wavelengths from 313 to 320 nm

Pope, Francis D., Smith, Carina A., Ashfold, Michael N. R., Orr-Ewing, Andrew J.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 652 KB

english, 2005

22

Tetrathiafulvalene?phosphine-based iron and ruthenium carbonyl complexes: Electrochemical and EPR studies

Gouverd, Cyril, Biaso, Fr�d�ric, Cataldo, Laurent, Berclaz, Th�o, Geoffroy, Michel, Levillain, Eric, Avarvari, Narcis, Fourmigu�, Marc, Sauvage, Fran�ois X., Wartelle, Corinne

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 950 KB

english, 2005

23

Laser-induced fluorescence excitation and dispersed fluorescence spectroscopy of the �(1B1)?X?(1A1) transition of dichlorocarbene

Guss, Joseph S., Richmond, Craig A., Nauta, Klaas, Kable, Scott H.

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 643 KB

english, 2005

24

Electronic transitions in the IR: Matrix isolation spectroscopy and electronic structure theory calculations on polyacenes and dibenzopolyacenes

Weisman, Jennifer L., Mattioda, Andrew, Lee, Timothy J., Hudgins, Doug M., Allamandola, Lou J., Bauschlicher Jr., Charles W., Head-Gordon, Martin

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1.37 MB

english, 2005

25

Modeling of dense ceramic bilayer membranes

Schroeder, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 615 KB

english, 2005

27

Polyoxyalkylene block copolymers adsorbed in hydrocarbon and fluorocarbon oil-in-water emulsions

King, Stephen, Washington, Clive, Heenan, Richard

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 564 KB

english, 2005

28

Back matter

Journal:

Physical Chemistry Chemical Physics

Year:

2005

File:

PDF, 496 KB

2005

29

Happy New Year from PCCP!

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 1022 KB

english, 2005

30

Raman spectroscopic study of mixed valence neodymium and cerium chloride solutions in eutectic LiCl?KCl melts

Rodriguez-Betancourtt, Veronica M., Nattland, Detlef

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 634 KB

english, 2005

Volume 7; Issue 1

Vibrational spectroscopy of a non-aromatic amino acid-based model peptide: identification of the γ-turn motif of the peptide backbone

Photofragmentation of C60 in the extreme ultraviolet: statistical analysis on the appearance energies of C60–2nz+(n≥ 1, z= 1–3)

High-field EPR spectroscopy applied to biological systems: characterization of molecular switches for electron and ion transfer

Activity of surface active substances determined from their surface excess

FT-IR study of CO adsorption on Pt/CeO2: characterisation and structural rearrangement of small Pt particles

Photoinduced oxidation of [Mn(L)3]2+ and [Mn2O2(L)4]3+�(L = 2,2?-bipyridine and 4,4?-dimethyl-2,2?-bipyridine) with the [Ru(bpy)3]2+/-aryl diazonium salt system

Real time quantitative Raman spectroscopy of supported metal oxide catalysts without the need of an internal standard

Optimization of auxiliary basis sets for RI-MP2 and RI-CC2 calculations: Core?valence and quintuple-? basis sets for H to Ar and QZVPP basis sets for Li to Kr

Thiogermanate glasses?influence of the modifier cation?a combined XPS and theoretical study

Methane clustering in explicit water: effect of urea on hydrophobic interactions

Multi-coefficient extrapolated density functional theory for thermochemistry and thermochemical kinetics

Computer aided design of nano-structured materials with tailored ionic conductivities

Front cover

Highly dispersed magnesium oxide species on silica as photoactive sites for photoinduced direct methane coupling and photoluminescence

Isotopic induction of the excited-state single-proton transfer in 7-azaindole dimer

Entrance channel X?HF (X = Cl, Br and I) complexes studied by high-resolution infrared laser spectroscopy in helium nanodroplets

Back cover

Headgroup organization and hydration of methylated phosphatidylethanolamines in Langmuir monolayers

Correlated ionic hopping processes in crystalline and glassy electrolytes resulting in MIGRATION-type and nearly-constant-loss-type conductivities

Cation extraction by 18-crown-6 to a room-temperature ionic liquid: The effect of solvent humidity investigated by molecular dynamics simulations

High-resolution absorption cross sections of formaldehyde at wavelengths from 313 to 320 nm

Tetrathiafulvalene?phosphine-based iron and ruthenium carbonyl complexes: Electrochemical and EPR studies

Laser-induced fluorescence excitation and dispersed fluorescence spectroscopy of the �(1B1)?X?(1A1) transition of dichlorocarbene

Electronic transitions in the IR: Matrix isolation spectroscopy and electronic structure theory calculations on polyacenes and dibenzopolyacenes

Contents

Modeling of dense ceramic bilayer membranes

Polyoxyalkylene block copolymers adsorbed in hydrocarbon and fluorocarbon oil-in-water emulsions

Back matter

Happy New Year from PCCP!

Raman spectroscopic study of mixed valence neodymium and cerium chloride solutions in eutectic LiCl?KCl melts