Volume 12; Issue 23

Physical Chemistry Chemical Physics

Volume 12; Issue 23

1

Ice in space: surface science investigations of the thermal desorption of model interstellar ices on dust grain analogue surfaces

Burke, Daren J., Brown, Wendy A.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.93 MB

english, 2010

2

Improved interaction energy benchmarks for dimers of biological relevance

Podeszwa, Rafał, Patkowski, Konrad, Szalewicz, Krzysztof

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 154 KB

english, 2010

3

Formulations of the closed-shell interactions in endohedral systems

Wang, Cong, Straka, Michal, Pyykkö, Pekka

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 723 KB

english, 2010

4

Reversible photoswitching between nitrito-N and nitrito-O isomers in trans-[Ru(py)4(NO2)2]

Schaniel, Dominik, Mockus, Nicholas, Woike, Theo, Klein, Axel, Sheptyakov, Denis, Todorova, Teodora, Delley, Bernard

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.53 MB

english, 2010

5

N-Methyl stereochemistry in tropinone: the conformational flexibility of the tropane motif

Cocinero, Emilio J., Lesarri, Alberto, Écija, Patricia, Grabow, Jens-Uwe, Fernández, José A., Castaño, Fernando

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.27 MB

english, 2010

6

Binary complexes of tertiary amines with phenylacetylene. Dispersion wins over electrostatics

Maity, Surajit, Patwari, G. Naresh, Karthikeyan, S., Kim, Kwang S.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.06 MB

english, 2010

7

Accurate dispersion interactions from standard density-functional theory methods with small basis sets

Mackie, Iain D., DiLabio, Gino A.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1019 KB

english, 2010

8

Localisation of BODIPY-labelled phosphatidylcholines in lipid bilayers

Šachl, Radek, Boldyrev, Ivan, Johansson, Lennart B. Å.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

9

Aqueous alkali halide solutions: can osmotic coefficients be explained on the basis of the ionic sizes alone?

Kalyuzhnyi, Yu V., Vlachy, Vojko, Dill, Ken A.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.27 MB

english, 2010

10

Spectroscopy and dynamics of the 7,7,8,8-tetracyanoquinodimethane radical anion

Roberts, Gareth M., Lecointre, Julien, Horke, Daniel A., Verlet, Jan R. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

11

Relaxation time prediction for a light switchable peptide by molecular dynamics

Denschlag, Robert, Schreier, Wolfgang J., Rieff, Benjamin, Schrader, Tobias E., Koller, Florian O., Moroder, Luis, Zinth, Wolfgang, Tavan, Paul

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 830 KB

english, 2010

12

Specific defects, surface band bending and characteristic green emissions of ZnO

Tay, Y. Y., Tan, T. T., Liang, M. H., Boey, F., Li, S.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 773 KB

english, 2010

13

NO2 quantum yields from ultraviolet photodissociation of methyl and isopropyl nitrate

Carbajo, Paula Gorrotxategi, Orr-Ewing, Andrew J.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 582 KB

english, 2010

14

Molecular diffusion in porous media by PGSE ESR

Talmon, Yael, Shtirberg, Lazar, Harneit, Wolfgang, Rogozhnikova, Olga Yu., Tormyshev, Victor, Blank, Aharon

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.10 MB

english, 2010

15

Hydrolytic conversion of AsO−34 to HAsO−24: a QMCF MD study

Bhattacharjee, Anirban, Hofer, Thomas S., Pribil, Andreas B., Randolf, Bernhard R., Rode, Bernd M.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

16

A microreactor functionalized with acoustic wave effects and a liquid phase catalytic reaction

Nishiyama, Hiroshi, Asari, Ryusuke, Inoue, Yasunobu

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 597 KB

english, 2010

17

A formalism relating the conductivity of functionalized nanoparticles to constituent ligand molecules and application to water-containing silica

Di Noto, Vito, Lavina, Sandra, Wintersgill, Mary. C., Fontanella, John J.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1011 KB

english, 2010

18

Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods

Cuesta, I. García, Marín, J. Sánchez, de Merás, A. Sánchez, Pawłowski, F., Lazzeretti, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.15 MB

english, 2010

19

Ammonia absorption in calcium graphite intercalation compound: in situ neutron diffraction, Raman spectroscopy and magnetization

Srinivas, G., Lovell, A., Skipper, N. T., Bennington, S. M., Kurban, Z., Smith, R. I.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.59 MB

english, 2010

20

An electron induced two-dimensional switch made of azobenzene derivatives anchored in supramolecular assemblies

Henzl, Jörg, Morgenstern, Karina

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.53 MB

english, 2010

21

Reactivity of the β-AlF3(100) surface: defects, fluorine mobility and catalysis of the CCl2F2 dismutation reaction

Bailey, C. L., Mukhopadhyay, S., Wander, A., Searle, B. G., Carr, J. M., Harrison, N. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.62 MB

english, 2010

22

Synthesis and grafting of a BTP derivative onto a quartz crystal microbalance for lanthanide detection

Mercier, Dimitri, Leconte, Nicolas, Méthivier, Christophe, Suzenet, Franck, Guillaumet, Gérald, Wuillaume, Anne, Pradier, Claire-Marie

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.41 MB

english, 2010

23

Contents

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 15.07 MB

english, 2010

24

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2010

File:

PDF, 211 KB

2010

25

Regular mesoporous nanoarchitectures with Fe-doped semiconducting framework and enhanced photocatalytic activity

Ding, Zhengxin, Huang, Jianhui, Wang, Xinchen

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 694 KB

english, 2010

26

Influence of binder properties on kinetic and transport processes in polymer electrolyte fuel cell electrodes

Sambandam, Satheesh, Ramani, Vijay

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 954 KB

english, 2010

27

Matrix isolation studies on the co-condensation reactions of molecular SiO and GeO: the characterisation of the novel cyclic species SiGeO2, Si2GeO3 and SiGe2O3

Ogden, J. Steven, Harrowven, David C., Wyatt, Robert S., Ferrante, Francesco, Cannady, John P.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 978 KB

english, 2010

28

High-resolution magnetic resonance spectroscopy in unstable fields via intermolecular zero-quantum coherences

Lin, Meijin, Chen, Xi, Cai, Shuhui, Chen, Zhong

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 802 KB

english, 2010

29

Multinuclear NMR of CaSiO3 glass: simulation from first-principles

Pedone, Alfonso, Charpentier, Thibault, Menziani, Maria Cristina

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.93 MB

english, 2010

30

The identification of the two missing conformers of gas-phase alanine: a jet-cooled Raman spectroscopy study

Balabin, Roman M.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 987 KB

english, 2010

31

Back matter

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.07 MB

english, 2010

32

Selective dissociation in dication–molecule reactions

Parkes, Michael A., Lockyear, Jessica F., Price, Stephen D., Schröder, Detlef, Roithová, Jana, Herman, Zdenek

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.12 MB

english, 2010

33

Excited-state dynamics and dye–dye interactions in dye-coated gold nanoparticles with varying alkyl spacer lengths

Malicki, Michał, Hales, Joel M., Rumi, Mariacristina, Barlow, Stephen, McClary, LaKeisha, Marder, Seth R., Perry, Joseph W.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.09 MB

english, 2010

34

Association function of conjugated polymer charge-transfer complex

Parashchuk, Olga D., Bruevich, Vladimir V., Paraschuk, Dmitry Yu.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.06 MB

english, 2010

35

Adsorption states and mobility of trimethylacetic acid molecules on reduced TiO2(110) surface

Lyubinetsky, Igor, Deskins, N. Aaron, Du, Yingge, Vestergaard, Ebbe K., Kim, Dong Jun, Dupuis, Michel

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.74 MB

english, 2010

36

Multimode vibronic spectra of the Holstein molecular crystal model

Liu, Qingmei, Ye, Jun, Zhao, Yang

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.76 MB

english, 2010

37

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 496 KB

english, 2010

38

Phase behaviour of propane- and scCO2-microemulsions and their prominent role for the recently proposed foaming procedure POSME (Principle of Supercritical Microemulsion Expansion)

Schwan, Michael, Kramer, Lorenz G. A., Sottmann, Thomas, Strey, Reinhard

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.18 MB

english, 2010

39

Comparison of cationic, anionic and neutral hydrogen bonded dimers

Lee, Han Myoung, Kumar, Anupriya, Kołaski, Maciej, Kim, Dong Young, Lee, Eun Cheol, Min, Seung Kyu, Park, Mina, Choi, Young Cheol, Kim, Kwang S.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.34 MB

english, 2010

40

Isolation, structure, and stability of a dodecanethiolate-protected Pd1Au24 cluster

Negishi, Yuichi, Kurashige, Wataru, Niihori, Yoshiki, Iwasa, Takeshi, Nobusada, Katsuyuki

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.64 MB

english, 2010

41

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2010

File:

PDF, 206 KB

2010

42

Conformational behaviors of a charged-neutral star micelle in salt-free solution

Deng, Mingge, Jiang, Ying, Li, Xuejin, Wang, Lei, Liang, Haojun

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.12 MB

english, 2010

43

Coherent dynamics and ultrafast excited state relaxation of blue copper protein; plastocyanin

Nagasawa, Yutaka, Fujita, Kenji, Katayama, Tetsuro, Ishibashi, Yukihide, Miyasaka, Hiroshi, Takabe, Teruhiro, Nagao, Satoshi, Hirota, Shun

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.03 MB

english, 2010

44

Inversion of the shuttlecock shaped metal phthalocyanines MPc (M = Ge, Sn, Pb)—a density functional study

Baran, Jakub D., Larsson, J. Andreas

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.35 MB

english, 2010

45

Ab initio static and molecular dynamics study of the absorption spectra of the 4-styrylpyridine photoswitch in its cis and trans forms

Daku, Latévi Max Lawson, Linares, Jorge, Boillot, Marie-Laure

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 2.64 MB

english, 2010

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