Volume 13; Issue 35

Physical Chemistry Chemical Physics

Volume 13; Issue 35

1

Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines

Standara, Stanislav, Bouzková, Kateřina, Straka, Michal, Zacharová, Zuzana, Hocek, Michal, Marek, Jaromír, Marek, Radek

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.90 MB

english, 2011

2

Unprecedented π⋯π interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations

Gangopadhyay, Sumana, Das, Kalyan Kumar, Marek, Jaromir, Marek, Radek, Brus, Jiri, Ali, Mahammad, Dutta, Arpan, Jana, Atish Dipankar

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.56 MB

english, 2011

3

CVD graphene electrochemistry: the role of graphitic islands

Brownson, Dale A. C., Banks, Craig E.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.40 MB

english, 2011

4

Polyoxometalate grafting onto silica: stability diagrams of H3PMo12O40 on {001}, {101}, and {111} β-cristobalite surfaces analyzed by DFT

Rozanska, Xavier, Sautet, Philippe, Delbecq, Françoise, Lefebvre, Frédéric, Borshch, Sergei, Chermette, Henri, Basset, Jean-Marie, Grinenval, Eva

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.26 MB

english, 2011

5

Microporous carbon adsorbents with high CO2 capacities for industrial applications

Builes, Santiago, Roussel, Thomas, Ghimbeu, Camelia Matei, Parmentier, Julien, Gadiou, Roger, Vix-Guterl, Cathie, Vega, Lourdes F.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.58 MB

english, 2011

6

Cross-section energy dependence of the [C6H6–M]+ adduct formation between benzene molecules and alkali ions (M = Li, Na, K)

López, E., Lucas, J. M., de Andrés, J., Albertí, M., Bofill, J. M., Bassi, D., Aguilar, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

7

Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin–spin coupling constants

Malkina, Olga L., Křístková, Anežka, Malkin, Elena, Komorovský, Stanislav, Malkin, Vladimir G.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.21 MB

english, 2011

8

A theoretical investigation of the low energy conformers of the isomers glycine and methylcarbamic acid and their role in the interstellar medium

Kayi, Hakan, Kaiser, Ralf I., Head, John D.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.51 MB

english, 2011

9

A general model of metal underpotential deposition in the presence of thiol-based additives based on an in situ STM study

Yanson, Yuriy, Frenken, Joost W. M., Rost, Marcel J.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.44 MB

english, 2011

10

Core–shell H-ZSM-5/silicalite-1 composites: Brønsted acidity and catalyst deactivation at the individual particle level

Mores, Davide, Stavitski, Eli, Verkleij, Suzanna P., Lombard, Antoinette, Cabiac, Amandine, Rouleau, Loïc, Patarin, Joël, Simon-Masseron, Angélique, Weckhuysen, Bert M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.01 MB

english, 2011

11

Effect of nitrogen and intrinsic defect complexes on conversion efficiency of ZnO for hydrogen generation from water

Lu, Y. H., Russo, S. P., Feng, Y. P.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.56 MB

english, 2011

12

Brownian dynamics of a compressed polymer brush model. Off-equilibrium response as a function of surface coverage and compression rate

Carlsson, T., Kamerlin, N., Arteca, G. A., Elvingson, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.16 MB

english, 2011

13

From VO2 (B) to VO2 (A) nanobelts: first hydrothermal transformation, spectroscopic study and first principles calculation

Zhang, Shudong, Shang, Bo, Yang, Jinlong, Yan, Wensheng, Wei, Shiqiang, Xie, Yi

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.37 MB

english, 2011

14

UV absorption cross sections between 230 and 350 nm and pressure dependence of the photolysis quantum yield at 308 nm of CF3CH2CHO

Antiñolo, María, Jiménez, Elena, Albaladejo, José

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.02 MB

english, 2011

15

Electronic structure and oxygen vacancies in PdO and ZnO: validation of DFT models

Bruska, Marta Kinga, Czekaj, Izabela, Delley, Bernard, Mantzaras, John, Wokaun, Alexander

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.27 MB

english, 2011

16

Size-controlled deposition of Ag nanoparticles on alumina with the assistance of a photo-induced chromic reaction, and study of their catalytic properties

Mori, Kohsuke, Kumami, Akihito, Yamashita, Hiromi

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 938 KB

english, 2011

17

Surface abundance change in vacuum ultraviolet photodissociation of CO2 and H2O mixture ices

Kinugawa, Takashi, Yabushita, Akihiro, Kawasaki, Masahiro, Hama, Tetsuya, Watanabe, Naoki

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.84 MB

english, 2011

18

Multi-state multi-mode nuclear dynamics on three isomers of C6H4F+2 using parallelized TDDVR approach

Sardar, Subhankar, Puzari, Panchanan, Adhikari, Satrajit

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.73 MB

english, 2011

19

On the interpretation of transport properties of sodium cholate and sodium deoxycholate in binary and ternary aqueous mixtures

Mangiapia, Gaetano, D'Errico, Gerardino, Capuano, Fabio, Ortona, Ornella, Heenan, Richard K., Paduano, Luigi, Sartorio, Roberto

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.07 MB

english, 2011

20

Formation of nitric oxide and nitrous oxide in electron-irradiated H218O/N2 ice mixtures—evidence for the existence of free oxygen atoms in interstellar and solar system analog ices

Zheng, Weijun, Kim, Y. Seol, Kaiser, Ralf I.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.54 MB

english, 2011

21

Can azulene-like molecules function as substitution-free molecular rectifiers?

Zhou, Kai-Ge, Zhang, Yong-Hui, Wang, Le-Jia, Xie, Ke-Feng, Xiong, Yu-Qing, Zhang, Hao-Li, Wang, Cheng-Wei

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.02 MB

english, 2011

22

In situ time-resolved XAFS study on the structural transformation and phase separation of Pt3Sn and PtSn alloy nanoparticles on carbon in the oxidation process

Uemura, Y., Inada, Y., Bando, K. K., Sasaki, T., Kamiuchi, N., Eguchi, K., Yagishita, A., Nomura, M., Tada, M., Iwasawa, Y.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.10 MB

english, 2011

23

Bifunctional single-crystalline rutile nanorod decorated heterostructural photoanodes for efficient dye-sensitized solar cells

Hao, Feng, Lin, Hong, Zhou, Chen, Liu, Yizhu, Li, Jianbao

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.26 MB

english, 2011

24

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 12.40 MB

english, 2011

25

The effect of the position of methyl substituents on photophysical and photochemical properties of [Ru(x,x′-dmb)(CN)4]2− complexes: experimental confirmation of the theoretical predictions

Szabó, Péter, Lendvay, György, Horváth, Attila, Kovács, Margit

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.51 MB

english, 2011

26

Polarizability versus mobility: atomistic force field for ionic liquids

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.07 MB

english, 2011

27

Novel self-assembling system based on resorcinarene and cationic surfactant

Kashapov, Ruslan R., Pashirova, Tatiana N., Kharlamov, Sergey V., Ziganshina, Albina Yu., Ziltsova, Elena P., Lukashenko, Svetlana S., Zakharova, Lucia Ya., Habicher, Wolf D., Latypov, Shamil K., Kono

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.10 MB

english, 2011

28

Laboratory simulation of Kuiper belt object volatile ices under ionizing radiation: CO–N2 ices as a case study

Kim, Y. S., Zhang, F., Kaiser, R. I.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

29

FTIR study of ammonia formation via the successive hydrogenation of N atoms trapped in a solid N2 matrix at low temperatures

Hidaka, Hiroshi, Watanabe, Motohiro, Kouchi, Akira, Watanabe, Naoki

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 744 KB

english, 2011

30

Metal-ion induced transition from multi- to single-bilayer tubes in histidine bearing lipids and formation of monodisperse Au nanoparticles

Nishimura, Tomoki, Matsuo, Takuma, Sakurai, Kazuo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.33 MB

english, 2011

31

Low temperature spectroscopy and irradiation effects on Solar System ices – Kuiper belt objects as a case study

Kaiser, Ralf I., Zheng, Weijun, Osamura, Yoshihiro, Chang, Agnes H. H.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 185 KB

english, 2011

32

A DFT study of IRMOF-3 catalysed Knoevenagel condensation

Cortese, Remedios, Duca, Dario

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.20 MB

english, 2011

33

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.24 MB

english, 2011

34

Interfacial water on hydrophobic surfaces recognized by ions and molecules

Shibukawa, Masami, Kondo, Yoshiki, Ogiyama, Yawara, Osuga, Keita, Saito, Shingo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

35

Microscopic solvation of NaBO2 in water: anion photoelectron spectroscopy and ab initio calculations

Feng, Yuan, Cheng, Min, Kong, Xiang-Yu, Xu, Hong-Guang, Zheng, Wei-Jun

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.07 MB

english, 2011

36

The phase (trans)formation and physical state of a model drug in mesoscopic confinement

Ukmar, Tina, Godec, Aljaž, Planinšek, Odon, Kaučič, Venčeslav, Mali, Gregor, Gaberšček, Miran

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.60 MB

english, 2011

37

Radiolysis of astrophysical ice analogs by energetic ions: the effect of projectile mass and ice temperature

Pilling, Sergio, Duarte, Eduardo Seperuelo, Domaracka, Alicja, Rothard, Hermann, Boduch, Philippe, Silveira, Enio F. da

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.12 MB

english, 2011

38

Back matter

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.59 MB

english, 2011

39

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

File:

PDF, 620 KB

2011

40

On the dimerization of chlorophyll in photosystem II

Nilsson Lill, Sten O.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.74 MB

english, 2011

41

Back Cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.91 MB

english, 2011

42

An intramolecular charge/electron transfer chemiluminescence mechanism of oxidophenyl-substituted 1,2-dioxetane

Tanaka, Chizuko, Tanaka, Jiro, Matsumoto, Masakatsu

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.91 MB

english, 2011

43

Structural models for yttrium aluminium borate laser glasses: NMR and EPR studies of the system (Y2O3)0.2–(Al2O3)x–(B2O3)0.8−x

Deters, Heinz, de Lima, José F., Magon, Claudio J., de Camargo, Andrea S. S., Eckert, Hellmut

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.60 MB

english, 2011

44

A theoretical and experimental study on translational and internal energies of H2O and OH from the 157 nm irradiation of amorphous solid water at 90 K

Andersson, Stefan, Arasa, Carina, Yabushita, Akihiro, Yokoyama, Masaaki, Hama, Tetsuya, Kawasaki, Masahiro, Western, Colin M., Ashfold, Michael N. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.17 MB

english, 2011

45

Interaction of hydrogen with surfaces of silicates: single crystal vs. amorphous

He, Jiao, Frank, Paul, Vidali, Gianfranco

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.09 MB

english, 2011

46

Experimental studies of surface reactions among OH radicals that yield H2O and CO2 at 40–60 K

Oba, Yasuhiro, Watanabe, Naoki, Kouchi, Akira, Hama, Tetsuya, Pirronello, Valerio

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 770 KB

english, 2011

47

Effects of various halogen anions and cations of alkali metals on energetics of excess charge recombination in stilbene donor–acceptor capped DNA hairpins

Voityuk, Alexander A., Siriwong, Khatcharin, Berlin, Yuri A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.38 MB

english, 2011

48

Possible mechanism underlying high-pressure unfolding of proteins: formation of a short-period high-density hydration shell

Sumi, Tomonari, Sekino, Hideo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 715 KB

english, 2011

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