Volume 13; Issue 40

Physical Chemistry Chemical Physics

Volume 13; Issue 40

1

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.37 MB

english, 2011

2

Manganese-Schiff base complexes as catalysts for water photolysis

González-Riopedre, Gustavo, Fernández-García, M. Isabel, González-Noya, Ana M., Vázquez-Fernández, M. Ángeles, Bermejo, Manuel R., Maneiro, Marcelino

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.60 MB

english, 2011

3

Electronic coupling in iron oxide-modified TiO2 leads to a reduced band gap and charge separation for visible light active photocatalysis

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.77 MB

english, 2011

4

Speciation of uranyl ions in fulvic acid and humic acid: a DFT exploration

Sundararajan, Mahesh, Rajaraman, Gopalan, Ghosh, Swapan K.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.73 MB

english, 2011

5

Proton transfer and autoionization in HNO3·HCl·(H2O)n particles

Balcı, F. Mine, Uras-Aytemiz, Nevin, Gómez, Pedro C., Escribano, Rafael

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.27 MB

english, 2011

6

Modified spontaneous emissions of europium complex in weak PMMA opals

Wang, Wei, Song, Hongwei, Bai, Xue, Liu, Qiong, Zhu, Yongsheng

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.58 MB

english, 2011

7

On the influence of hydrated ionic liquids on the dynamical structure of model proteins: a computational study

Haberler, Michael, Steinhauser, Othmar

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.77 MB

english, 2011

8

Impact of tunneling on hydrogen-migration of the n-propylperoxy radical

Zhang, Feng, Dibble, Theodore S.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.88 MB

english, 2011

9

Combination of visible-light responsive heterogeneous and homogeneous photocatalysts for water oxidation

Fukuzumi, Shunichi, Kato, Satoshi, Suenobu, Tomoyoshi

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.57 MB

english, 2011

10

Ultrafast excitation transfer and charge stabilization in a newly assembled photosynthetic antenna-reaction center mimic composed of boron dipyrrin, zinc porphyrin and fullerene

D'Souza, Francis, Wijesinghe, Channa A., El-Khouly, Mohamed E., Hudson, Jessica, Niemi, Marja, Lemmetyinen, Helge, Tkachenko, Nikolai V., Zandler, Melvin E., Fukuzumi, Shunichi

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.58 MB

english, 2011

11

Testing the limits of sensitivity in a solid-state structural investigation by combined X-ray powder diffraction, solid-state NMR, and molecular modelling

Filip, Xenia, Borodi, Gheorghe, Filip, Claudiu

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.00 MB

english, 2011

12

A hybrid all-atom/coarse grain model for multiscale simulations of DNA

Machado, Matías Rodrigo, Dans, Pablo Daniel, Pantano, Sergio

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.07 MB

english, 2011

13

Long-time charge separation in porphyrin/KTa(Zr)O3 as water splitting photocatalyst

Hagiwara, Hidehisa, Inoue, Takanori, Ida, Shintaro, Ishihara, Tatsumi

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.47 MB

english, 2011

14

Electrochemical performances of LiMnPO4 synthesized from non-stoichiometric Li/Mn ratio

Xiao, Jie, Chernova, Natasha A., Upreti, Shailesh, Chen, Xilin, Li, Zheng, Deng, Zhiqun, Choi, Daiwon, Xu, Wu, Nie, Zimin, Graff, Gordon L., Liu, Jun, Whittingham, M. Stanley, Zhang, Ji-Guang

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.59 MB

english, 2011

15

Efficient crystallization induced emissive materials based on a simple push–pull molecular structure

Cariati, Elena, Lanzeni, Valentina, Tordin, Elisa, Ugo, Renato, Botta, Chiara, Giacometti Schieroni, Alberto, Sironi, Angelo, Pasini, Dario

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.88 MB

english, 2011

16

Synthesis and characterization of sodium vanadium oxide gels: the effects of water (n) and sodium (x) content on the electrochemistry of NaxV2O5·nH2O

Lee, Chia-Ying, Marschilok, Amy C., Subramanian, Aditya, Takeuchi, Kenneth J., Takeuchi, Esther S.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.80 MB

english, 2011

17

Water, proton, and oxygen transport in high IEC, short side chain PFSA ionomer membranes: consequences of a frustrated network

Luo, Xiaoyan, Holdcroft, Steven, Mani, Ana, Zhang, Yongming, Shi, Zhiqing

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.89 MB

english, 2011

18

Spontaneous oscillations of cell voltage, power density, and anode exit CO concentration in a PEM fuel cell

Lu, Hui, Rihko-Struckmann, Liisa, Sundmacher, Kai

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 904 KB

english, 2011

19

Chloride supporting electrolytes for all-vanadium redox flow batteries

Kim, Soowhan, Vijayakumar, M., Wang, Wei, Zhang, Jianlu, Chen, Baowei, Nie, Zimin, Chen, Feng, Hu, Jianzhi, Li, Liyu, Yang, Zhenguo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.91 MB

english, 2011

20

A Kirkwood–Buff force field for the aromatic amino acids

Ploetz, Elizabeth A., Smith, Paul E.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.19 MB

english, 2011

21

Investigation of CO2 capture mechanisms of liquid-like nanoparticle organic hybrid materials via structural characterization

Park, Youngjune, Decatur, John, Lin, Kun-Yi Andrew, Park, Ah-Hyung Alissa

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.75 MB

english, 2011

22

The effect of Bi adsorption on CO oxidation inside 1.8 nm Pt pores

Esterle, Thomas F., Russell, Andrea E., Bartlett, Philip N.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.22 MB

english, 2011

23

Back matter

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.84 MB

english, 2011

24

Dynamic response of gold nanoparticle chemiresistors to organic analytes in aqueous solution

Müller, Karl-Heinz, Chow, Edith, Wieczorek, Lech, Raguse, Burkhard, Cooper, James S., Hubble, Lee J.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.43 MB

english, 2011

25

Absorption and action spectra analysis of ammonium fluoride-doped titania photocatalysts

Dozzi, Maria Vittoria, Ohtani, Bunsho, Selli, Elena

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.29 MB

english, 2011

26

Hemispherical nanobubbles reduce interfacial slippage in simple liquids

Finger, Anne, Johannsmann, Diethelm

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.77 MB

english, 2011

27

Effective increasing of optical absorption and energy conversion efficiency of anatase TiO2 nanocrystals by hydrogenation

Lu, Jibao, Dai, Ying, Jin, Hao, Huang, Baibiao

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.08 MB

english, 2011

28

Electron transfer dynamics of Rhodothermus marinus caa3 cytochrome c domains on biomimetic films

Molinas, Maria F., De Candia, Ariel, Szajnman, Sergio H., Rodríguez, Juan B., Martí, Marcelo, Pereira, Manuela, Teixeira, Miguel, Todorovic, Smilja, Murgida, Daniel H.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.47 MB

english, 2011

29

Influence of the percentage of acetylation on the assembly of LbL multilayers of poly(acrylic acid) and chitosan

Guzmán, Eduardo, Chuliá-Jordán, Raquel, Ortega, Francisco, Rubio, Ramón G.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 972 KB

english, 2011

30

NMR crystallography of AlPO4-CJ2: from the topological network to the local (OH)/F distribution

Martineau, Charlotte, Mellot-Draznieks, Caroline, Taulelle, Francis

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.11 MB

english, 2011

31

Surface functionalization of electro-deposited nickel

Sadler, James E., Szumski, Doug S., Kierzkowska, Agnieska, Catarelli, Samantha R., Stella, Kevin, Nichols, Richard J., Fonticelli, Mariano H., Benitez, Guillermo, Blum, Bárbara, Salvarezza, Roberto C.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.82 MB

english, 2011

32

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 894 KB

english, 2011

33

The role of weak hydrogen bonds in chiral recognition

Scuderi, Debora, Le Barbu-Debus, Katia, Zehnacker, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.08 MB

english, 2011

34

The photoionisation of propargylene and diazopropyne

Steinbauer, Michael, Lang, Melanie, Fischer, Ingo, de Miranda, Bárbara K. Cunha, Romanzin, Claire, Alcaraz, Christian

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 724 KB

english, 2011

35

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

File:

PDF, 994 KB

2011

36

Structural properties of polystyrene oligomers in different environments: a molecular dynamics study

Bayramoglu, Beste, Faller, Roland

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.61 MB

english, 2011

37

Wavelength-modulated femtosecond stimulated raman spectroscopy—approach towards automatic data processing

Kloz, Miroslav, Grondelle, Rienk van, Kennis, John T.M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.41 MB

english, 2011

38

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 16.79 MB

english, 2011

39

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

File:

PDF, 653 KB

2011

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