Volume 11; Issue 27

Physical Chemistry Chemical Physics

Volume 11; Issue 27

1

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 536 KB

english, 2009

2

Shedding light on water structure at air–aqueous interfaces: ions, lipids, and hydration

Allen, Heather C., Casillas-Ituarte, Nadia N., Sierra-Hernández, M. Roxana, Chen, Xiangke, Tang, Cheng Y.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 2.72 MB

english, 2009

3

Reduction of protons assisted by a hexanuclear nickel thiolate metallacrown: protonation and electrocatalytic dihydrogen evolution

Angamuthu, Raja, Bouwman, Elisabeth

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 759 KB

english, 2009

4

Adsorption dynamics of H2 on Pd(100) from first principles

Gross, A., Busnengo, H. F., Lozano, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.45 MB

english, 2009

5

Molecular dynamics simulation of the electrochemical interface between a graphite surface and the ionic liquid [BMIM][PF6]

Kislenko, Sergey A., Samoylov, Igor S., Amirov, Ravil H.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.39 MB

english, 2009

6

A spectroscopic and DFT study of thiophene-substituted metalloporphyrins as dye-sensitized solar cell dyes

Lind, Samuel J., Gordon, Keith C., Gambhir, Sanjeev, Officer, David L.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.61 MB

english, 2009

7

Ice growth in supercooled solutions of a biological “antifreeze”, AFGP 1–5: an explanation in terms of adsorption rate for the concentration dependence of the freezing point

Knight, C. A., DeVries, A. L.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.31 MB

english, 2009

8

Electron energy loss spectroscopy and anion formation in gas phase coronene

Abouaf, Robert, Díaz-Tendero, Sergio

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.40 MB

english, 2009

9

The effect of Mn oxidation state on metal core electron excitations in manganese dimers: a time-dependent density functional investigation

Jaszewski, Adrian R., Stranger, Rob, Pace, Ronald J.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 644 KB

english, 2009

10

Incorrect diatomic dissociation in variational reduced density matrix theory arises from the flawed description of fractionally charged atoms

Van Aggelen, Helen, Bultinck, Patrick, Verstichel, Brecht, Van Neck, Dimitri, Ayers, Paul W.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 950 KB

english, 2009

11

Preparation, structure, and stability of Pt and Pd monolayer modified Pd and Pt electrocatalysts

Wells, P. P., Crabb, E. M., King, C. R., Wiltshire, R., Billsborrow, B., Thompsett, D., Russell, A. E.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.20 MB

english, 2009

12

Band gap effect on the photocatalytic activity of supramolecular structures obtained by entrapping photosensitizers in different inorganic supports

Cojocaru, Bogdan, Neaţu, Ştefan, Pârvulescu, Vasile I., Dumbuya, Karifala, Steinrück, Hans-Peter, Michael Gottfried, J., Aprile, Carmela, Garcia, Hermenegildo, Scaiano, J. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 844 KB

english, 2009

13

Photoabsorption measurements and theoretical calculations of the electronic state spectroscopy of propionic, butyric, and valeric acids

Vicente, A., Antunes, R., Almeida, D., Franco, I. J. A., Hoffmann, S. V., Mason, N. J., Eden, S., Duflot, D., Canneaux, S., Delwiche, J., Hubin-Franskin, M.-J., Limão-Vieira, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.19 MB

english, 2009

14

The exploration of domain sizes and orientation directions in ordered assembled nanoparticles with electron Moiré fringes

Kishimoto, Satoshi, Yamauchi, Yusuke

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.32 MB

english, 2009

15

Defect structure in lithium-doped polymer-derived SiCN ceramics characterized by Raman and electron paramagnetic resonance spectroscopy

Erdem, Emre, Mass, Valentina, Gembus, Armin, Schulz, Armin, Liebau-Kunzmann, Verena, Fasel, Claudia, Riedel, Ralf, Eichel, Rüdiger-A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 682 KB

english, 2009

16

Thermal reversion of spirooxazine in ionic liquids containing the [NTf2]− anion

Coleman, Simon, Byrne, Robert, Minkovska, Stela, Diamond, Dermot

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.14 MB

english, 2009

17

Electronic structure of Lewis acid sites on high surface area aluminium fluorides: a combined XPS and ab initio investigation

Makarowicz, Anna, Bailey, Christine L., Weiher, Norbert, Kemnitz, Erhard, Schroeder, Sven L. M., Mukhopadhyay, Sanghamitra, Wander, Adrian, Searle, Barry G., Harrison, Nicholas M.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.38 MB

english, 2009

18

Density functional study of aurophilic interaction in [X(AuPH3)2+]2 (X = F, Cl, Br, I)

Fang, Hua, Zhang, Xiao-Gang, Wang, Shu-Guang

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.48 MB

english, 2009

19

Hydrogen-induced mitigation of O on Ru(101̄0): a density-functional study

Yakovkin, I. N.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.28 MB

english, 2009

20

Frequency of negative differential resistance electrochemical oscillators: theory and experiments

Kiss, István Z., Pelster, Lindsey N., Wickramasinghe, Mahesh, Yablonsky, Gregory S.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.26 MB

english, 2009

21

A stepwise atomic, valence-molecular, and full-molecular optimisation of the Hartree–Fock/Kohn–Sham energy

Jansík, Branislav, Høst, Stinne, Johansson, Mikael P., Olsen, Jeppe, Jørgensen, Poul, Helgaker, Trygve

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 616 KB

english, 2009

22

EPR spectroscopic investigation of radical-induced degradation of partially fluorinated aromatic model compounds for fuel cell membranes

Schönberger, Frank, Kerres, Jochen, Dilger, Herbert, Roduner, Emil

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 886 KB

english, 2009

23

Divalent carbon atom as the proton acceptor in hydrogen bonding

Jabłoński, Mirosław, Palusiak, Marcin

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.11 MB

english, 2009

24

DFT 2H quadrupolar coupling constants of ruthenium complexes: a good probe of the coordination of hydrides in conjuction with experiments

del Rosal, Iker, Gutmann, Torsten, Maron, Laurent, Jolibois, Franck, Chaudret, Bruno, Walaszek, Bernadeta, Limbach, Hans-Heinrich, Poteau, Romuald, Buntkowsky, Gerd

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.09 MB

english, 2009

25

Direct spectroscopic detection of framework-incorporated vanadium in mesoporous silica materials

Zamani, Sepideh, Meynen, Vera, Hanu, Alina-Mihaela, Mertens, Myrjam, Popovici, Eveline, Van Doorslaer, Sabine, Cool, Pegie

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.00 MB

english, 2009

26

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 375 KB

english, 2009

27

Surface photochemistry: alloxazine within nanochannels of Na+ and H+ ZSM-5 zeolites

Vieira Ferreira, L. F., Costa, A. I., Ferreira Machado, I., Botelho do Rego, A. M., Sikorska, E., Sikorski, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.54 MB

english, 2009

28

Theoretical study of the gas-phase ozonolysis of β-pinene (C10H16)

Nguyen, T. L., Peeters, J., Vereecken, L.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 762 KB

english, 2009

29

The electronic structure and ionic diffusion of nanoscale LiTiO2 anatase

Borghols, W. J. H., Lützenkirchen-Hecht, D., Haake, U., van Eck, E. R. H., Mulder, F. M., Wagemaker, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 906 KB

english, 2009

30

Local condensation around oxygen vacancies in t-LaNbO4 from first principles calculations

Kuwabara, Akihide, Haugsrud, Reidar, Stølen, Svein, Norby, Truls

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.17 MB

english, 2009

31

Motion of single wandering diblock-macromolecules directed by a PTFE nano-fence: real time SFM observations

Gallyamov, Marat O., Qin, Shuhui, Matyjaszewski, Krzysztof, Khokhlov, Alexei, Möller, Martin

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.98 MB

english, 2009

32

Coping with the anisotropy in the analytical representation of an ab initio potential energy surface for the Cl2 dimer

Karimi-Jafari, M. H., Ashouri, Mitra, Yeganeh-Jabri, Azadeh

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 631 KB

english, 2009

33

Evolution of the structures and stabilities of boron-doped lithium cluster cations: ab initio and DFT studies

Li, Ying, Liu, Yong-Jun, Wu, Di, Li, Zhi-Ru

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.18 MB

english, 2009

34

Infrared spectroscopy of ‘forbidden’ peptide sequences

Vaden, Timothy D., Gowers, Sally A. N., Snoek, Lavina C.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.15 MB

english, 2009

35

Contents and Chemical Science

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 7.19 MB

english, 2009

36

Electrochemistry of poly(3,4-ethylenedioxythiophene)-polyaniline/Prussian blue electrochromic devices containing an ionic liquid based gel electrolyte film

Deepa, Melepurath, Awadhia, Arvind, Bhandari, Shweta

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.50 MB

english, 2009

37

The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms

Maldonado, Alejandro F., Aucar, Gustavo A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.10 MB

english, 2009

38

Adsorption of cyanodiacetylene on ice: a periodic approach

Labat, Frédéric, Pouchan, Claude

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.27 MB

english, 2009

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