Volume 15; Issue 46

Physical Chemistry Chemical Physics

Volume 15; Issue 46

1

High levels of molecular orientation of surface azo chromophores can be optically induced even in a wet biological environment

Sailer, Miloslav, Fernández, Raquel, Lu, Xiaoyu, Barrett, Christopher J.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 766 KB

english, 2013

2

Atomistic nature of the DPT tautomerisation of the biologically important C·C* DNA base mispair containing amino and imino tautomers of cytosine: a QM and QTAIM approach

Brovarets', Ol'ha O., Hovorun, Dmytro M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.55 MB

english, 2013

3

A chiroptical switch based on supramolecular chirality transfer through alkyl chain entanglement and dynamic covalent bonding

Lv, Kai, Qin, Long, Wang, Xiufeng, Zhang, Li, Liu, Minghua

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.59 MB

english, 2013

4

Hybrid nanotube–graphene junctions: spin degeneracy breaking and tunable electronic structure

Qu, Zhi-bei, Gu, Li, Li, Meina, Shi, Guoyue, Zhuang, Gui-lin

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.83 MB

english, 2013

5

In situ growth of lamellar ZnTiO3 nanosheets on TiO2 tubular array with enhanced photocatalytic activity

Cai, Yunyu, Ye, Yixing, Tian, Zhenfei, Liu, Jun, Liu, Yishu, Liang, Changhao

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 920 KB

english, 2013

6

Evaluating push–pull dye efficiency using TD-DFT and charge transfer indices

García, Gregorio, Adamo, Carlo, Ciofini, Ilaria

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 921 KB

english, 2013

7

Optical absorption in donor–acceptor polymers – alternating vs. random

Karolewski, Andreas, Neubig, Anne, Thelakkat, Mukundan, Kümmel, Stephan

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 8.27 MB

english, 2013

8

Energetic behavior of the pure silica ITQ-12 (ITW) zeolite under high pressure water intrusion

Khay, Ismail, Tzanis, Lydie, Daou, T. Jean, Nouali, Habiba, Ryzhikov, Andrey, Patarin, Joël

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 973 KB

english, 2013

9

Photophysics and aggregation effects of a triphenylamine-based dye sensitizer on metal-oxide nanoparticles suspended in an ion trap

Dryza, Viktoras, Nguyen, Jessica L., Kwon, Tae-Hyuk, Wong, Wallace W. H., Holmes, Andrew B., Bieske, Evan J.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.37 MB

english, 2013

10

10.1039/C3CP53402B

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 1.64 MB

english

11

Benchmark calculations of metal carbonyl cations: relativistic vs. electron correlation effects

Matito, Eduard, Salvador, Pedro, Styszyński, Jacek

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 5.94 MB

english, 2013

12

Selective DMSO-induced conformational changes in proteins from Raman optical activity

Batista, Andrea N. L., Batista Jr, João M., Bolzani, Vanderlan S., Furlan, Maysa, Blanch, Ewan W.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.43 MB

english, 2013

13

Electrochemical properties of graphene flakes as an air cathode material for Li–O2 batteries in an ether-based electrolyte

Kim, Se Young, Lee, Ho-Taek, Kim, Kwang-Bum

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.41 MB

english, 2013

14

MoS2—an integrated protective and active layer on n+p-Si for solar H2 evolution

Laursen, Anders B., Pedersen, Thomas, Malacrida, Paolo, Seger, Brian, Hansen, Ole, Vesborg, Peter C. K., Chorkendorff, Ib

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.75 MB

english, 2013

15

Electrooxidation of methanol in an alkaline fuel cell: determination of the nature of the initial adsorbate

Morgan, Ashley, Kavanagh, Richard, Lin, Wen-Feng, Hardacre, Christopher, Hu, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.67 MB

english, 2013

16

α-MnO2 nanowire catalysts with ultra-high capacity and extremely low overpotential in lithium–air batteries through tailored surface arrangement

Song, Kyeongse, Jung, Jaepyeong, Heo, Yoon-Uk, Lee, Yoon Cheol, Cho, Kyeongjae, Kang, Yong-Mook

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.10 MB

english, 2013

17

Theoretical insights into the adsorption of neutral, radical and anionic thiophenols on gold(111)

Miranda-Rojas, S., Muñoz-Castro, Alvaro, Arratia-Pérez, Ramiro, Mendizábal, Fernando

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.39 MB

english, 2013

18

A quantum chemical perspective on (6-4) photolesion repair by photolyases

Dreuw, Andreas, Faraji, Shirin

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.25 MB

english, 2013

19

The pressure dependence of the solid state structure of biphenyl from DFT calculations

Potzel, Oliver, Taubmann, Gerhard

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.53 MB

english, 2013

20

Excited state dynamics of β-carotene studied by means of transient absorption spectroscopy and multivariate curve resolution alternating least-squares analysis

Vdović, Silvije, Wang, Yingying, Li, Boxuan, Qiu, Meng, Wang, Xuefei, Guo, Qianjin, Xia, Andong

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.64 MB

english, 2013

21

Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA

Owusu-Ware, Samuel K., Chowdhry, Babur Z., Leharne, Stephen A., Antonijevic, Milan D.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.84 MB

english, 2013

22

Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

Lee, Myung Won, Meuwly, Markus

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.64 MB

english, 2013

23

A theoretical study of the photochemistry of indigo in its neutral and dianionic (leucoindigo) forms

Moreno, Miquel, Ortiz-Sánchez, Juan Manuel, Gelabert, Ricard, Lluch, José M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.11 MB

english, 2013

24

Manipulation of domain wall mobility by oxygen vacancy ordering in multiferroic YMnO3

Du, Yi, Wang, Xiaolin, Chen, Dapeng, Yu, Youxing, Hao, Weichang, Cheng, Zhenxiang, Dou, Shi Xue

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.79 MB

english, 2013

25

Deep eutectic solvents based on N-methylacetamide and a lithium salt as suitable electrolytes for lithium-ion batteries

Boisset, Aurélien, Menne, Sebastian, Jacquemin, Johan, Balducci, Andrea, Anouti, Mérièm

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.15 MB

english, 2013

26

Ensemble and ligand effects on the acetylene adsorption on ordered PdxAg1−x/Pd(100) surface alloys investigated by periodic DFT study

Li, Qiang, Song, Lijuan, Pan, Lihong, Zhuang, Xinling, Ling, Mingli, Duan, Linhai

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.80 MB

english, 2013

27

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 7.09 MB

english, 2013

28

Unified treatment and measurement of the spectral resolution and temporal effects in frequency-resolved sum-frequency generation vibrational spectroscopy (SFG-VS)

Velarde, Luis, Wang, Hong-Fei

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.08 MB

english, 2013

29

Surface-charge distribution on a dielectric sphere due to an external point charge: examples of C60 and C240 fullerenes

Raggi, Gerardo, Stace, Anthony J., Bichoutskaia, Elena

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.70 MB

english, 2013

30

Controlled electrochemical intercalation, exfoliation and in situ nitrogen doping of graphite in nitrate-based protic ionic liquids

Lu, Xunyu, Zhao, Chuan

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.44 MB

english, 2013

31

Improving the understanding of DNA–propanediyl-1,3-bis(dodecyldimethylammonium) dibromide interaction using thermodynamic, structural and kinetic approaches

Grueso, Elia, Kuliszewska, Edyta, Prado-Gotor, Rafael, Perez-Tejeda, Pilar, Roldan, Emilio

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.62 MB

english, 2013

32

Collective hydrogen-bond dynamics dictates the electronic structure of aqueous I3−

Josefsson, Ida, Eriksson, Susanna K., Ottosson, Niklas, Öhrwall, Gunnar, Siegbahn, Hans, Hagfeldt, Anders, Rensmo, Håkan, Björneholm, Olle, Odelius, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.42 MB

english, 2013

33

Voltage-controlled enzyme-catalyzed glucose–gluconolactone conversion using a field-effect enzymatic detector

Yau, Siu-Tung, Xu, Yan, Song, Yang, Feng, Ye, Wang, Jiapeng

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.75 MB

english, 2013

34

10.1039/c3cp53625d

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 1.76 MB

english

35

Optical properties of free-standing gelatin–Si nanoparticle composite films and gelatin–Si–Au nanoparticle composite films

Shi, Li, Yu, Ting, Sun, Luwei, Pi, Xiaodong, Peng, Xinsheng

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.28 MB

english, 2013

36

The doping mechanism of Cr into TiO2 and its influence on the photocatalytic performance

Li, Xuemin, Guo, Zhengkai, He, Tao

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.23 MB

english, 2013

37

Anomalous Debye-like dielectric relaxation of water in micro-sized confined polymeric systems

Colosi, C., Costantini, M., Barbetta, A., Cametti, C., Dentini, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.65 MB

english, 2013

38

Diamino protic ionic liquids for CO2 capture

Vijayraghavan, R., Pas, Steven J., Izgorodina, Ekaterina I., MacFarlane, Douglas R.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.27 MB

english, 2013

39

Electronic structure, adsorption geometry, and photoswitchability of azobenzene layers adsorbed on layered crystals

Ludwig, Eric, Strunskus, Thomas, Hellmann, Stefan, Nefedov, Alexei, Wöll, Christof, Kipp, Lutz, Rossnagel, Kai

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.85 MB

english, 2013

40

Reversible addition of the OH radical to p-cymene in the gas phase: kinetic analysis assuming formation of a single adduct. Part 1

Alarcón, Paulo, Strekowski, Rafal, Zetzsch, Cornelius

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.97 MB

english, 2013

41

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.21 MB

english, 2013

42

Collective librations of water molecules in the crystal lattice of rubidium bromide: experiment and simulation

Lepodise, L. M., Horvat, J., Lewis, R. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.74 MB

english, 2013

43

Oxidation and ignition of aluminum nanomaterials

Noor, Fahad, Zhang, Hua, Korakianitis, Theodosios, Wen, Dongsheng

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.75 MB

english, 2013

44

Orientational relaxation in semiflexible dendrimers

Kumar, Amit, Biswas, Parbati

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.13 MB

english, 2013

45

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

File:

PDF, 1.18 MB

2013

46

A combined experimental and computational study of the catalytic dehydration of glycerol on microporous zeolites: an investigation of the reaction mechanism and acrolein selectivity

Lin, Xufeng, Lv, Yanhong, Qu, Yuanyuan, Zhang, Guodong, Xi, Yanyan, Phillips, David L., Liu, Chenguang

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.17 MB

english, 2013

47

Donor–acceptor conjugated polymers based on a pentacyclic aromatic lactam acceptor unit for polymer solar cells

Liao, Qiaogan, Cao, Jiamin, Xiao, Zuo, Liao, Jianhe, Ding, Liming

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.50 MB

english, 2013

48

Simultaneous induction of high level thermal and visible-light catalytic activities to titanium(iv) oxide by surface modification with cobalt(iii) oxide clusters

Jin, Qiliang, Yamamoto, Hironori, Yamamoto, Kotaro, Fujishima, Musashi, Tada, Hiroaki

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.35 MB

english, 2013

49

Clusters of α-LiFeO2 nanoparticles incorporated into multi-walled carbon nanotubes: a lithium-ion battery cathode with enhanced lithium storage properties

Rahman, Md Mokhlesur, Glushenkov, Alexey M., Chen, Zhiqiang, Dai, Xiujuan J., Ramireddy, Thrinathreddy, Chen, Ying

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.46 MB

english, 2013

50

Population splitting, trapping, and non-ergodicity in heterogeneous diffusion processes

Cherstvy, Andrey G., Metzler, Ralf

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.25 MB

english, 2013

51

Graphene–cobaltite–Pd hybrid materials for use as efficient bifunctional electrocatalysts in alkaline direct methanol fuel cells

Sharma, Chandra Shekhar, Awasthi, Rahul, Singh, Ravindra Nath, Sinha, Akhoury Sudhir Kumar

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.61 MB

english, 2013

52

Evolution of biofunctional semiconductor nanocrystals: a calorimetric investigation

Ghosh, Debasmita, Mondal, Somrita, Roy, Chandra Nath, Saha, Abhijit

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.05 MB

english, 2013

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