Volume 13; Issue 37

Physical Chemistry Chemical Physics

Volume 13; Issue 37

1

Understanding the polarity of ionic liquids

Ab Rani, M. A., Brant, A., Crowhurst, L., Dolan, A., Lui, M., Hassan, N. H., Hallett, J. P., Hunt, P. A., Niedermeyer, H., Perez-Arlandis, J. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.60 MB

english, 2011

2

First principles scheme to evaluate band edge positions in potential transition metal oxide photocatalysts and photoelectrodes

Toroker, Maytal Caspary, Kanan, Dalal K., Alidoust, Nima, Isseroff, Leah Y., Liao, Peilin, Carter, Emily A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.47 MB

english, 2011

3

Studies on the interaction of achiral cationic pseudoisocyanine with chiral metal complexes

Zeng, Lixi, Wang, Jian, Ding, Dongdong, Li, Xiangjun, Zhang, Hui, Zhao, Hong, Fan, Jun, Zhang, Weiguang, He, Yujian

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.57 MB

english, 2011

4

Theoretical study of the solvation of HgCl2, HgClOH, Hg(OH)2 and HgCl3−: a density functional theory cluster approach

Castro, Ludovic, Dommergue, Aurélien, Renard, Alexandre, Ferrari, Christophe, Ramirez-Solis, Alejandro, Maron, Laurent

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.80 MB

english, 2011

5

Electrospinning of carbon-coated MoO2 nanofibers with enhanced lithium-storage properties

Luo, Wei, Hu, Xianluo, Sun, Yongming, Huang, Yunhui

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.16 MB

english, 2011

6

Relativity and the mercury battery

Zaleski-Ejgierd, Patryk, Pyykkö, Pekka

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 931 KB

english, 2011

7

Radical cation (C˙+–π) and radical anion (A˙−–π) interactions with aromatic rings: energetic, orbitalic and spin density considerations

Estarellas, Carolina, Frontera, Antonio, Quiñonero, David, Deyà, Pere M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.06 MB

english, 2011

8

Conformationally resolved structures of jet-cooled acetaminophen by UV–UV hole-burning spectroscopy

Lee, Seung Jun, Min, Ahreum, Kim, Yusic, Ahn, Ahreum, Chang, Jinyoung, Lee, Sang Hak, Choi, Myong Yong, Kim, Seong Keun

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.68 MB

english, 2011

9

Remarkable nanoconfinement effects on chemical equilibrium manifested in nucleotide dimerization and H–D exchange reactions

Polak, Micha, Rubinovich, Leonid

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.21 MB

english, 2011

10

The vapour of imidazolium-based ionic liquids: a mass spectrometry study

Deyko, A., Lovelock, K. R. J., Licence, P., Jones, R. G.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.27 MB

english, 2011

11

A π-stacked phenylacetylene dimer

Maity, Surajit, Patwari, G. Naresh, Sedlak, Robert, Hobza, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 866 KB

english, 2011

12

Reconsideration of the anomalous dielectric behavior of dimethyl sulfoxide in the pure liquid state

Shikata, Toshiyuki, Sugimoto, Natsuki

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.61 MB

english, 2011

13

Absorption and emission spectra of fluorescent silica nanoparticles from TD-DFT/MM/PCM calculations

Pedone, Alfonso, Prampolini, Giacomo, Monti, Susanna, Barone, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.30 MB

english, 2011

14

Aromaticity of strongly bent benzene rings: persistence of a diatropic ring current and its shielding cone in [5]paracyclophane

Jenneskens, Leonardus W., Havenith, Remco W. A., Soncini, Alessandro, Fowler, Patrick W.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.29 MB

english, 2011

15

Natural abundance solid-state 67Zn NMR characterization of microporous zinc phosphites and zinc phosphates at ultrahigh magnetic field

Sutrisno, Andre, Liu, Li, Xu, Jun, Huang, Yining

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.96 MB

english, 2011

16

A novel synthesis method to produce silver-doped CeO2 nanotubes based on Ag nanowire templates

Mondragón-Galicia, G., Pérez-Hernández, R., Gutiérrez-Wing, C. E., Mendoza-Anaya, D.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.64 MB

english, 2011

17

A reactive force field for aqueous-calcium carbonate systems

Gale, Julian D., Raiteri, Paolo, van Duin, Adri C. T.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 8.66 MB

english, 2011

18

How to control the scaling of CaCO3: a “fingerprinting technique” to classify additives

Verch, Andreas, Gebauer, Denis, Antonietti, Markus, Cölfen, Helmut

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.96 MB

english, 2011

19

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

File:

PDF, 767 KB

2011

20

Reliable structural, thermodynamic, and spectroscopic properties of organic molecules adsorbed on silicon surfaces from computational modeling: the case of glycine@Si(100)

Carnimeo, Ivan, Biczysko, Malgorzata, Bloino, Julien, Barone, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.62 MB

english, 2011

21

Effects of the surface mobility on the oxidation of adsorbed CO on platinum electrodes in alkaline media. The role of the adlayer and surface defects

Herrero, Enrique, Chen, Qing-Song, Hernández, Javier, Sun, Shi-Gang, Feliu, Juan M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.41 MB

english, 2011

22

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 5.14 MB

english, 2011

23

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

File:

PDF, 707 KB

2011

24

The photoinduced isomerization and its implication in the photo-dynamical processes in two simple Schiff bases isolated in solid argon

Grzegorzek, Joanna, Filarowski, Aleksander, Mielke, Zofia

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.16 MB

english, 2011

25

Analytical theory of the catalytic mechanism in square wave voltammetry at disc electrodes

Molina, Angela, González, Joaquín, Laborda, Eduardo, Wang, Yijun, Compton, Richard G.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 948 KB

english, 2011

26

From microscopic insights of H2 adsorption to uptake estimations in MOFs

Gomez, Diego A., Sastre, German

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.22 MB

english, 2011

27

Visible and ultraviolet spectroscopy of gas phase protein ions

Antoine, Rodolphe, Dugourd, Philippe

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.77 MB

english, 2011

28

Characteristics of CO32−–water hydrogen bonds in aqueous solution: insights from HF/MM and B3LYP/MM MD simulations

Tongraar, Anan, Yotmanee, Pathumwadee, Payaka, Apirak

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.61 MB

english, 2011

29

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.28 MB

english, 2011

30

The residence probability: single molecule fluorescence correlation spectroscopy and reversible geminate recombination

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.02 MB

english, 2011

31

Adsorption energetics of CO on supported Pd nanoparticles as a function of particle size by single crystal microcalorimetry

Flores-Camacho, J. M., Fischer-Wolfarth, J.-H., Peter, M., Campbell, C. T., Schauermann, S., Freund, H.-J.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.47 MB

english, 2011

32

Fast oxygen exchange kinetics of pore-free Bi1−xSrxFeO3−δ thin films

Wedig, Anja, Merkle, Rotraut, Stuhlhofer, Benjamin, Habermeier, Hanns-Ulrich, Maier, Joachim, Heifets, Eugene

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.37 MB

english, 2011

33

Theoretical study on the gas phase reaction of acrylonitrile with a hydroxyl radical

Sun, Jingyu, Wang, Rongshun, Wang, Baoshan

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.13 MB

english, 2011

34

Metal-intercalated aromatic hydrocarbons: a new class of carbon-based superconductors

Kubozono, Yoshihiro, Mitamura, Hiroki, Lee, Xuesong, He, Xuexia, Yamanari, Yusuke, Takahashi, Yosuke, Suzuki, Yuta, Kaji, Yumiko, Eguchi, Ritsuko, Akaike, Koki, Kambe, Takashi, Okamoto, Hideki, Fujiwa

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.99 MB

english, 2011

35

The impact of ionic liquids on amyloid fibrilization of Aβ16-22: tuning the rate of fibrilization using a reverse Hofmeister strategy

Debeljuh, Natalie, Barrow, Colin J., Byrne, Nolene

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.14 MB

english, 2011

36

Atomic structures of the defective SrTiO3 (001) surface

Kubo, Toshitaka, Orita, Hideo, Nozoye, Hisakazu

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.30 MB

english, 2011

37

SERS from two-tier sphere segment void substrates

Johnson, Robert P., Mahajan, Sumeet, Abdelsalam, Mamdouh E., Cole, Robin M., Baumberg, Jeremy J., Russell, Andrea E., Bartlett, Philip N.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

38

Electronic and magnetic properties of C-adsorbed graphene: a first-principles study

Zhou, Y. G., Wang, Z. G., Yang, P., Zu, X. T., Xiao, H. Y., Sun, X., Khaleel, M. A., Gao, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.14 MB

english, 2011

39

Electropolymerization of naphthaleneamidinemonoimide-modified poly(thiophene)

Otero, Toribio F., Arias-Pardilla, Joaquín, Herrera, Helena, Segura, José Luis, Seoane, Carlos

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 666 KB

english, 2011

40

Surface models and reaction barrier in Eley–Rideal formation of H2 on graphitic surfaces

Bonfanti, Matteo, Casolo, Simone, Tantardini, Gian Franco, Martinazzo, Rocco

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 6.44 MB

english, 2011

41

UV-induced growth of cyanopolyyne chains in cryogenic solids

Crépin, Claudine, Turowski, Michał, Ceponkus, Justinas, Douin, Stéphane, Boyé-Péronne, Séverine, Gronowski, Marcin, Kołos, Robert

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.46 MB

english, 2011

42

An X-ray absorption spectroscopic study on mixed conductive La0.6Sr0.4Co0.8Fe0.2O3−δ cathodes. I. Electrical conductivity and electronic structure

Orikasa, Yuki, Ina, Toshiaki, Nakao, Takayuki, Mineshige, Atsushi, Amezawa, Koji, Oishi, Masatsugu, Arai, Hajime, Ogumi, Zempachi, Uchimoto, Yoshiharu

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

43

A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force field

Taylor, DeCarlos E., Rob, Fazle, Rice, Betsy M., Podeszwa, Rafal, Szalewicz, Krzysztof

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.99 MB

english, 2011

44

Structural characterisation of phosphate materials: new insights into the spatial proximities between phosphorus and quadrupolar nuclei using the D-HMQC MAS NMR technique

Tricot, G., Lafon, O., Trébosc, J., Delevoye, L., Méar, F., Montagne, L., Amoureux, J-P.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.40 MB

english, 2011

45

Electrochemical detection of receptor-mediated endocytosis by scanning electrochemical microscopy

Takahashi, Yasufumi, Miyamoto, Takeshi, Shiku, Hitoshi, Ino, Kosuke, Yasukawa, Tomoyuki, Asano, Ryutaro, Kumagai, Izumi, Matsue, Tomokazu

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.78 MB

english, 2011

46

Interfacial assembly of cinnamoyl-terminated bolaamphiphiles through the air/water interface: headgroup-dependent assembly, supramolecular nanotube and photochemical sewing

Liu, Xufei, Wang, Tianyu, Liu, Minghua

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.15 MB

english, 2011

47

Observation of bi-polarons in blends of conjugated copolymers and fullerene derivatives

Savenije, Tom J., Sperlich, Andreas, Kraus, Hannes, Poluektov, Oleg, Heeney, Martin, Dyakonov, Vladimir

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.56 MB

english, 2011

48

Pb intercalation underneath a graphene layer on Ru(0001) and its effect on graphene oxidation

Jin, Li, Fu, Qiang, Mu, Rentao, Tan, Dali, Bao, Xinhe

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.81 MB

english, 2011

49

Photophysical behavior of acridine with amines within the micellar microenvironment of SDS: a time-resolved fluorescence and laser flash photolysis study

Sarangi, Manas Kumar, Basu, Samita

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.79 MB

english, 2011

50

Development of a coarse-grained model for simulations of tridecanoin liquid–solid phase transitions

Brasiello, Antonio, Crescitelli, Silvestro, Milano, Giuseppe

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.74 MB

english, 2011

51

pH sensing using boron doped diamond electrodes

Fierro, Stéphane, Mitani, Naoko, Comninellis, Christos, Einaga, Yasuaki

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 934 KB

english, 2011

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