Volume 15; Issue 37

Physical Chemistry Chemical Physics

Volume 15; Issue 37

1

Effect of hydrogen bonds on the modulus of bulk polybenzoxazines in the glassy state

Yang, Po, Wang, Xiaoying, Fan, Haojun, Gu, Yi

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.53 MB

english, 2013

2

Electronic and molecular behaviors of a novel ionic paramagnetic ruthenium(iii) complex

Sun, Qilong, Dai, Ying, Ma, Yandong, Ma, Xiangchao, Huang, Baibiao

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.69 MB

english, 2013

3

Waste to real energy: the first MFC powered mobile phone

Ieropoulos, Ioannis A., Ledezma, Pablo, Stinchcombe, Andrew, Papaharalabos, George, Melhuish, Chris, Greenman, John

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.20 MB

english, 2013

4

State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface

Li, Anyang, Guo, Hua, Sun, Zhigang, Kłos, Jacek, Alexander, Millard H.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.18 MB

english, 2013

5

Oxygen reduction reaction on stepped platinum surfaces in alkaline media

Rizo, Ruben, Herrero, Enrique, Feliu, Juan M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 742 KB

english, 2013

6

Evanescent field excited plasmonic nano-antenna for improving SERS signal

Gu, Yuejiao, Li, Haibo, Xu, Shuping, Liu, Yu, Xu, Weiqing

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 915 KB

english, 2013

7

Effective preconditioning for ab initio ground state energy minimization with non-orthogonal localized molecular orbitals

Peng, Liang, Gu, Feng Long, Yang, Weitao

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.04 MB

english, 2013

8

Sacrificial polymer thin-film template with tunability to construct high-density Au nanoparticle arrays and their refractive index sensing

Yuan, Weiyong, Lu, Zhisong, Wang, Huili, Li, Chang Ming

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.60 MB

english, 2013

9

Concentration dependence of graphene oxide–nanoneedle manganese oxide composites reduced by hydrazine hydrate for an electrochemical supercapacitor

Kim, Myeongjin, Hwang, Yongseon, Min, Kyungchan, Kim, Jooheon

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.66 MB

english, 2013

10

10.1039/C3CP52457D

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 2.15 MB

english

11

Temperature dependent absorption cross-sections of O2–O2 collision pairs between 340 and 630 nm and at atmospherically relevant pressure

Thalman, Ryan, Volkamer, Rainer

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.31 MB

english, 2013

12

Oxidation-state dependent electrocatalytic activity of iridium nanoparticles supported on graphene nanosheets

Shim, Jun Ho, Kim, Ji Eon, Cho, Yun-Bin, Lee, Chongmok, Lee, Youngmi

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

13

Electron transfer in proteins: theory, applications and future perspectives

Saen-Oon, Suwipa, Lucas, Maria Fatima, Guallar, Victor

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.37 MB

english, 2013

14

Water–gas shift on gold catalysts: catalyst systems and fundamental studies

Tao, Franklin (Feng), Ma, Zhen

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.06 MB

english, 2013

15

Is there a motivation for a universal behaviour in molecular populations undergoing chemical reactions?

Stanislavsky, A., Weron, K.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.06 MB

english, 2013

16

3,4-Ethylenedioxythiophene as an electron donor to construct arylamine sensitizers for highly efficient iodine-free dye-sensitized solar cells

Hao, Yujie, Liang, Mao, Wang, Zhihui, Wang, Lina, Sun, Yongyu, Sun, Zhe, Xue, Song

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.45 MB

english, 2013

17

Using crystallographic shear to reduce lattice thermal conductivity: high temperature thermoelectric characterization of the spark plasma sintered Magnéli phases WO2.90 and WO2.722

Kieslich, Gregor, Veremchuk, Igor, Antonyshyn, Iryna, Zeier, Wolfgang G., Birkel, Christina S., Weldert, Kai, Heinrich, Christophe P., Visnow, Eduard, Panthöfer, Martin, Burkhardt, Ulrich, Grin, Yuri,

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.95 MB

english, 2013

18

A simple non-empirical procedure for spin-component-scaled MP2 methods applied to the calculation of the dissociation energy curve of noncovalently-interacting systems

Grabowski, Ireneusz, Fabiano, Eduardo, Sala, Fabio Della

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.49 MB

english, 2013

19

A theoretical study on the formation of iodine oxide aggregates and monohydrates

Gálvez, O., Gómez Martín, J. C., Gómez, P. C., Saiz-Lopez, A., Pacios, L. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.83 MB

english, 2013

20

Energy-transfer from Gd(iii) to Tb(iii) in (Gd,Yb,Tb)PO4 nanocrystals

Debasu, Mengistie L., Ananias, Duarte, Rocha, João, Malta, Oscar L., Carlos, Luís D.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.07 MB

english, 2013

21

Stabilizing effect of electrostatic vs. aromatic interactions in diproline nucleated peptide β-hairpins

Makwana, Kamlesh Madhusudan, Raghothama, Srinivasarao, Mahalakshmi, Radhakrishnan

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.52 MB

english, 2013

22

Quantized friction across ionic liquid thin films

Smith, Alexander M., Lovelock, Kevin R. J., Gosvami, Nitya Nand, Welton, Tom, Perkin, Susan

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.95 MB

english, 2013

23

Interaction of gold nanoparticles with thermoresponsive microgels: influence of the cross-linker density on optical properties

Gawlitza, Kornelia, Turner, Sarah T., Polzer, Frank, Wellert, Stefan, Karg, Matthias, Mulvaney, Paul, Klitzing, Regine von

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.23 MB

english, 2013

24

Carbon nanotubes as electronic interconnects in solid acid fuel cell electrodes

Varga, Áron, Pfohl, Moritz, Brunelli, Nicholas A., Schreier, Marcel, Giapis, Konstantinos P., Haile, Sossina M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.45 MB

english, 2013

25

Theoretical modeling of optical properties of Ag8 and Ag14 silver clusters embedded in an LTA sodalite zeolite cavity

Cuong, Ngo Tuan, Nguyen, Hue Minh Thi, Nguyen, Minh Tho

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.39 MB

english, 2013

26

Distance dependence of hole transfer rates from G radical cations to GGG traps in DNA

Kalosakas, G., Spanou, E.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.99 MB

english, 2013

27

Mixing and non-stoichiometry in Fe–Ni–Cr–Zn–O spinel compounds: density functional theory calculations

Andersson, David A., Stanek, Christopher R.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.60 MB

english, 2013

28

Polymer-grafted nanoparticles prepared by surface-initiated polymerization: the characterization of polymer chain conformation, grafting density and polydispersity correlated to the grafting surface curvature

Xue, Yao-Hong, Zhu, You-Liang, Quan, Wei, Qu, Fu-Heng, Han, Cheng, Fan, Jing-Tao, Liu, Hong

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.77 MB

english, 2013

29

Electrochemical reduction induced self-doping of Ti3+ for efficient water splitting performance on TiO2 based photoelectrodes

Zhang, Zhonghai, Hedhili, Mohamed Nejib, Zhu, Haibo, Wang, Peng

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.12 MB

english, 2013

30

Modulation of the stability of amyloidogenic precursors by anion binding strongly influences the rate of amyloid nucleation

Ruzafa, David, Conejero-Lara, Francisco, Morel, Bertrand

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.86 MB

english, 2013

31

Ternary 3D architectures of CdS QDs/graphene/ZnIn2S4 heterostructures for efficient photocatalytic H2 production

Hou, Jungang, Yang, Chao, Cheng, Huijie, Wang, Zheng, Jiao, Shuqiang, Zhu, Hongmin

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.53 MB

english, 2013

32

Molecular dynamics simulation of a DOPA/ST monolayer on the Au(111) surface

Kong, Chui-Peng, Peters, E. A. J. F., de With, G., Zhang, Hong-Xing

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 5.91 MB

english, 2013

33

Identifying and characterising the different structural length scales in liquids and glasses: an experimental approach

Salmon, Philip S., Zeidler, Anita

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.82 MB

english, 2013

34

Cu3MCh3 (M = Sb, Bi; Ch = S, Se) as candidate solar cell absorbers: insights from theory

Kehoe, Aoife B., Temple, Douglas J., Watson, Graeme W., Scanlon, David O.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.15 MB

english, 2013

35

Synthesis and characterization of poly-l-leucine initialized and immobilized by rehydrated hydrotalcite: understanding stability and the nature of interaction

Miranda, Ronald-Alexander, Finocchio, Elisabetta, Llorca, Jordi, Medina, Francisco, Ramis, Gianguido, Sueiras, Jesús E., Segarra, Anna M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.44 MB

english, 2013

36

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 5.99 MB

english, 2013

37

Quantification of intramolecular cooperativity in polynuclear spin crossover Fe(ii) complexes by density functional theory calculations

Rackwitz, Sergej, Klopper, Wim, Schünemann, Volker, Wolny, Juliusz A.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.99 MB

english, 2013

38

Exploring the limits of nucleobase expansion: computational design of naphthohomologated (xx-) purines and comparison to the natural and xDNA purines

Sharma, Purshotam, Lait, Linda A., Wetmore, Stacey D.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.34 MB

english, 2013

39

Rydberg electron capture by neutral Al hydrolysis products

Bogatko, Stuart, Cauët, Emilie, Geerlings, Paul

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

40

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

41

A semiconductor/mixed ion and electron conductor heterojunction for elevated-temperature water splitting

Ye, Xiaofei, Melas-Kyriazi, John, Feng, Zhuoluo A., Melosh, Nicholas A., Chueh, William C.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.41 MB

english, 2013

42

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1003 KB

english, 2013

43

Computational study of porphyrin-based dyes with better performance

Gu, Xiong, Sun, Qiang

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.19 MB

english, 2013

44

Experimental evidence of tunable space-charge-layer-induced electrical properties of nanocrystalline ceria thin films

Lee, Kyung-Ryul, Lee, Jong-Ho, Yoo, Han-Ill

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

45

On the mechanism of iodine oxide particle formation

Gómez Martín, J. C., Gálvez, O., Baeza-Romero, M. T., Ingham, T., Plane, J. M. C., Blitz, M. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.49 MB

english, 2013

46

Effects of post-reactor functionalization on the phase behaviour of an ethylene-1-octene copolymer studied using solid-state high resolution 13C NMR spectroscopy

Calucci, Lucia, Cicogna, Francesca, Forte, Claudia

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.49 MB

english, 2013

47

When a proton attacks cellobiose in the gas phase: ab initio molecular dynamics simulations

Pincu, Madeleine, Brauer, Brina, Gerber, R. Benny

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.69 MB

english, 2013

48

First-principles melting of gallium clusters down to nine atoms: structural and electronic contributions to melting

Steenbergen, Krista G., Gaston, Nicola

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.77 MB

english, 2013