Volume 11; Issue 48

Physical Chemistry Chemical Physics

Volume 11; Issue 48

1

Theoretical study of solvent effect on one- and two-photon absorption properties of starburst DCM derivatives

Zhao, Yang, Ren, Ai-Min, Feng, Ji-Kang, Zhou, Xin, Ai, Xi-Cheng, Su, Wen-Jie

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.34 MB

english, 2009

2

Diffusion coefficients and local structure in basic molten fluorides: in situ NMR measurements and molecular dynamics simulations

Sarou-Kanian, Vincent, Rollet, Anne-Laure, Salanne, Mathieu, Simon, Christian, Bessada, Catherine, Madden, Paul A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1018 KB

english, 2009

3

Kinetic model of the electrochemical oxidation of graphitic carbon in acidic environments

Gallagher, Kevin G., Fuller, Thomas F.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 822 KB

english, 2009

4

Low temperature behavior of thermodynamic perturbation theory

Zhou, Shiqi, Solana, J. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 664 KB

english, 2009

5

Gas phase folding of an (Ala)4 neutral peptide chain: spectroscopic evidence for the formation of a β-hairpin H-bonding pattern

Gloaguen, Eric, Pollet, Rodolphe, Piuzzi, François, Tardivel, Benjamin, Mons, Michel

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

6

Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation

Liu, Jun, Zhang, Liqun, Cao, Dapeng, Wang, Wenchuan

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.98 MB

english, 2009

7

Mechanism of electro-oxidation of carbon monoxide on stepped platinum electrodes in alkaline media: a chronoamperometric and kinetic modeling study

García, Gonzalo, Koper, Marc T. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.16 MB

english, 2009

8

A DFT comparative study of carbon adsorption and diffusion on the surface and subsurface of Ni and Ni3Pd alloy

Cinquini, F., Delbecq, F., Sautet, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.82 MB

english, 2009

9

Resonance Raman spectra of β-carotene in solution and in photosystems revisited: an experimental and theoretical study

Tschirner, Norman, Schenderlein, Matthias, Brose, Katharina, Schlodder, Eberhard, Mroginski, Maria Andrea, Thomsen, Christian, Hildebrandt, Peter

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 692 KB

english, 2009

10

Cooperativity of π-stacking and hydrogen bonding interactions and substituent effects on X-ben‖pyr⋯H–F complexes

Ebrahimi, Ali, Habibi, Mostafa, Sadat Neyband, Razieh, Reza Gholipour, Ali

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.15 MB

english, 2009

11

NMR tensors in planar hydrocarbons of increasing size

Ikäläinen, Suvi, Lantto, Perttu, Manninen, Pekka, Vaara, Juha

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.74 MB

english, 2009

12

Enhanced dihydrogen adsorption in symmetry-lowered metal–porphyrin-containing frameworks

Kim, Yong-Hyun, Sun, Y. Y., Ih Choi, Woon, Kang, Joongoo, Zhang, S. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.23 MB

english, 2009

13

A detailed comparison of centrifugal sudden and J-shift estimates of the reactive properties of the N + N2 reaction

Garcia, Ernesto, Sánchez, Carlos, Saracibar, Amaia, Laganà, Antonio, Skouteris, Dimitris

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.28 MB

english, 2009

14

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 639 KB

english, 2009

15

Spin-Peierls transition in low-dimensional quantum spin systems: a Green’s function approach

Ding, L. J., Yao, K. L., Fu, H. H.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.72 MB

english, 2009

16

Back matter

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 3.73 MB

english, 2009

17

Non covalent interactions in RNA and DNA base pairs: a quantum-mechanical study of the coupling between solvent and electronic density

Lipparini, Filippo, Scalmani, Giovanni, Mennucci, Benedetta

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.01 MB

english, 2009

18

On the stability of X2NO radicals (X = F, Cl, Br, I)

Puzzarini, Cristina, Barone, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 168 KB

english, 2009

19

Electron attachment and electron ionization of acetic acid clusters embedded in helium nanodroplets

Ferreira da Silva, F., Jaksch, S., Martins, G., Dang, H. M., Dampc, M., Denifl, S., Märk, T. D., Limão-Vieira, P., Liu, J., Yang, S., Ellis, A. M., Scheier, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 823 KB

english, 2009

20

Impact of vibrational excitation on the kinetics of a nascent ketene

Schmierer, Thomas, Schreier, Wolfgang J., Koller, Florian O., Schrader, Tobias E., Gilch, Peter

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.92 MB

english, 2009

21

Molecular recognition in the gas phase: benzocaine–phenol as a model of anaesthetic–receptor interaction

Aguado, Edurne, León, Iker, Cocinero, Emilio J., Lesarri, Alberto, Fernández, José A., Castaño, Fernando

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 267 KB

english, 2009

22

Contents

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 8.34 MB

english, 2009

23

X-Ray reflectometry studies on the effect of water on the surface structure of [C4mpyr][NTf2] ionic liquid

Lauw, Y., Horne, M. D., Rodopoulos, T., Webster, N. A. S., Minofar, B., Nelson, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.49 MB

english, 2009

24

Mg-25 ultra-high field solid state NMR spectroscopy and first principles calculations of magnesium compounds

Pallister, Peter J., Moudrakovski, Igor L., Ripmeester, John A.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.47 MB

english, 2009

25

Electronically excited states of protonated aromatic molecules: benzaldehyde

Alata, I., Omidyan, R., Dedonder-Lardeux, C., Broquier, M., Jouvet, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1024 KB

english, 2009

26

Influence of salt on assembly and compression of PDADMAC/PSSMA polyelectrolyte multilayers

Gong, Xiao, Gao, Changyou

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.82 MB

english, 2009

27

Computational identification of a metal organic framework for high selectivity membrane-based CO2/CH4 separations: Cu(hfipbb)(H2hfipbb)0.5

Watanabe, Taku, Keskin, Seda, Nair, Sankar, Sholl, David S.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.02 MB

english, 2009

28

Re-dissolution and de-compaction of DNA–cationic surfactant complexes using non-ionic surfactants

Corbyn, Conrad P., Fletcher, Paul D. I., Gemici, Rabia, Dias, Rita S., Miguel, Maria G.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 589 KB

english, 2009

29

Amplified spontaneous emission from opal photonic crystals engineered with structural defects

Di Stasio, Francesco, Berti, Luca, Burger, Martin, Marabelli, Franco, Gardin, Samuele, Dainese, Tiziano, Signorini, Raffaella, Bozio, Renato, Comoretto, Davide

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.22 MB

english, 2009

30

Electronic structure of disjoint diradical 4,4′-bis(1,2,3,5-dithiadiazolyl) thin films

Kanai, Kaname, Yoshida, Hiroyuki, Noda, Yukiko, Iwasaki, Akito, Suizu, Rie, Tsutumi, Jun’ya, Imabayashi, Hiroki, Ouchi, Yukio, Sato, Naoki, Seki, Kazuhiko, Awaga, Kunio

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.24 MB

english, 2009

31

Graph–topological approach to magnetic properties of benzenoid hydrocarbons

Ciesielski, Arkadiusz, Krygowski, Tadeusz M., Cyrański, Michał K., Dobrowolski, Michał A., Aihara, Jun-ichi

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 912 KB

english, 2009

32

Integral and differential cross sections for the S(1D)+HD reaction employing the ground adiabatic electronic state

Yang, H., Han, K.-L., Schatz, G. C., Lee, S.-H., Liu, K., Smith, S. C., Hankel, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.28 MB

english, 2009

33

Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces

Cole, Daniel J., Payne, Mike C., Ciacchi, Lucio Colombi

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.26 MB

english, 2009

34

A multi-technique approach to the analysis of SAMs of aromatic thiols on copper

Caprioli, Fabrizio, Beccari, Marco, Martinelli, Andrea, Di Castro, Valeria, Decker, Franco

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 572 KB

english, 2009

35

XPS study of ruthenium tris-bipyridine electrografted from diazonium salt derivative on microcrystalline boron doped diamond

Agnès, Charles, Arnault, Jean-Charles, Omnès, Franck, Jousselme, Bruno, Billon, Martial, Bidan, Gérard, Mailley, Pascal

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.30 MB

english, 2009

36

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 607 KB

english, 2009

37

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 265 KB

english, 2009

38

The OH + D2→ HOD + D angle–velocity distribution: quasi-classical trajectory calculations on the YZCL2 and WSLFH potential energy surfaces and comparison with experiments at ET = 0.28 eV

Sierra, José Daniel, Martínez, Rodrigo, Hernando, Jordi, González, Miguel

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.43 MB

english, 2009

39

Principal component analysis of potential energy surfaces of large clusters: allowing the practical calculation of the master equation

Panahi, Nima Shariat, Berry, R. S.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.32 MB

english, 2009

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