Volume 16; Issue 31

Physical Chemistry Chemical Physics

Volume 16; Issue 31

1

Graphene-based electrodes for enhanced organic thin film transistors based on pentacene

Basu, Sarbani, Lee, Mu Chen, Wang, Yeong-Her

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.72 MB

english, 2014

2

Electronic and optical properties of silicon based porous sheets

Guo, Yaguang, Zhang, Shunhong, Wang, Qian

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.31 MB

english, 2014

3

An energetic evaluation of dissolution corrosion capabilities of liquid metals on iron surface

Xu, Yichun, Song, Chi, Zhang, Yange, Liu, C. S., Pan, B. C., Wang, Zhiguang

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.99 MB

english, 2014

4

Pushing the limits in accurate vibrational structure calculations: anharmonic frequencies of lithium fluoride clusters (LiF) n , n = 2–10

Oschetzki, Dominik, Rauhut, Guntram

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.77 MB

english, 2014

5

Excited-state properties of fluorenones: influence of substituents, solvent and macrocyclic encapsulation

Ghosh, Indrajit, Mukhopadhyay, Arindam, Koner, Apurba Lal, Samanta, Subhas, Nau, Werner M., Moorthy, Jarugu Narasimha

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.93 MB

english, 2014

6

Boron doped defective graphene as a potential anode material for Li-ion batteries

Hardikar, Rahul P., Das, Deya, Han, Sang Soo, Lee, Kwang-Ryeol, Singh, Abhishek K.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.91 MB

english, 2014

7

First-principles study of native point defects in LiNi 1/3 Co 1/3 Mn 1/3 O 2 and Li 2 MnO 3

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.91 MB

english, 2014

8

Shear induced crystallization in different polymorphic forms of PVDF induced by surface functionalized MWNTs in PVDF/PMMA blends

Sharma, Maya, Madras, Giridhar, Bose, Suryasarathi

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.28 MB

english, 2014

9

Structural, dynamic and photophysical properties of a fluorescent dye incorporated in an amorphous hydrophobic polymer bundle

De Mitri, N., Prampolini, G., Monti, S., Barone, V.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.27 MB

english, 2014

10

Electric field induced hydrogenation of silicene

Wu, Weichang, Ao, Zhimin, Wang, Tao, Li, Changming, Li, Sean

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.21 MB

english, 2014

11

Hematite photoelectrodes for water splitting: evaluation of the role of film thickness by impedance spectroscopy

Lopes, Tânia, Andrade, Luísa, Le Formal, Florian, Gratzel, Michael, Sivula, Kevin, Mendes, Adélio

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.94 MB

english, 2014

12

Controlled growth of conical nickel oxide nanocrystals and their high performance gas sensing devices for ammonia molecule detection

Wang, Jian, Yang, Fan, Wei, Xiaowei, Zhang, Yafei, Wei, Liangming, Zhang, Jianjun, Tang, Qifeng, Guo, Biao, Xu, Lei

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.19 MB

english, 2014

13

Stability of Pt near surface alloys under electrochemical conditions: a model study

Zhang, Xiaoming, Yu, Shansheng, Zheng, Weitao, Liu, Ping

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.02 MB

english, 2014

14

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set

Sun, Huiyong, Li, Youyong, Tian, Sheng, Xu, Lei, Hou, Tingjun

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.29 MB

english, 2014

15

An anatomy of intramolecular atomic interactions in halogen-substituted trinitromethanes

Bartashevich, Ekaterina V., Pendás, Ángel Martín, Tsirelson, Vladimir G.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.82 MB

english, 2014

16

Substitution of a hydroxamic acid anchor into the MK-2 dye for enhanced photovoltaic performance and water stability in a DSSC

Koenigsmann, C., Ripolles, T. S., Brennan, B. J., Negre, C. F. A., Koepf, M., Durrell, A. C., Milot, R. L., Torre, J. A., Crabtree, R. H., Batista, V. S., Brudvig, G. W., Bisquert, J., Schmuttenmaer,

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.66 MB

english, 2014

17

The Crystal-T algorithm: a new approach to calculate the SLE of lipidic mixtures presenting solid solutions

Maximo, Guilherme J., Costa, Mariana C., Meirelles, Antonio J. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.40 MB

english, 2014

18

Fully solution processed all inorganic nanocrystal solar cells

Townsend, Troy K., Foos, Edward E.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.63 MB

english, 2014

19

Effect of ion structure on nanoscale friction in protic ionic liquids

Sweeney, James, Webber, Grant B., Rutland, Mark W., Atkin, Rob

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.29 MB

english, 2014

20

Enhanced anomalous Hall effect in Fe nanocluster assembled thin films

Wang, Junbao, Mi, Wenbo, Wang, Laisen, Zhang, Qinfu, Peng, Dongliang

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.37 MB

english, 2014

21

The calculation of 29 Si NMR chemical shifts of tetracoordinated silicon compounds in the gas phase and in solution

Zhang, Cong, Patschinski, Pascal, Stephenson, David S., Panisch, Robin, Wender, Josef Heinrich, Holthausen, Max C., Zipse, Hendrik

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.63 MB

english, 2014

22

Quantum chemical and matrix-IR characterization of CH 3 CN–BCl 3 : a complex with two distinct minima along the B–N bond potential

Wrass, John P., Sadowsky, Daniel, Bloomgren, Kaitlin M., Cramer, Christopher J., Phillips, James A.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.84 MB

english, 2014

23

Diversity of transition pathways in the course of crystallization into ice VII

Mochizuki, Kenji, Himoto, Kazuhiro, Matsumoto, Masakazu

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.99 MB

english, 2014

24

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2014

File:

PDF, 321 KB

2014

25

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2014

File:

PDF, 230 KB

2014

26

Ultrafast excited state dynamics of S2 and S1 states of triphenylmethane dyes

Singhal, Pallavi, Ghosh, Hirendra N.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.90 MB

english, 2014

27

Proton conductivity in mixed-conducting BSFZ perovskite from thermogravimetric relaxation

Poetzsch, Daniel, Merkle, Rotraut, Maier, Joachim

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.44 MB

english, 2014

28

Non-classical logic inverter coupling a ZnO nanowire-based Schottky barrier transistor and adjacent Schottky diode

Hosseini Shokouh, Seyed Hossein, Raza, Syed Raza Ali, Lee, Hee Sung, Im, Seongil

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.35 MB

english, 2014

29

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.34 MB

english, 2014

30

Reaction mediated artificial cell termination: control of vesicle viability using Rh( i )-catalyzed hydrogenation

Komatsu, Hirokazu, Daimon, Yuki, Kawakami, Kohsaku, Kanai, Motomu, Hill, Jonathan P., Ariga, Katsuhiko

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.49 MB

english, 2014

31

Tilt boundary induced heteroepitaxy in chemically grown dendritic silver nanostructures on germanium and their optical properties

Ghosh, Tanmay, Das, Pabitra, Chini, Tapas Kumar, Ghosh, Tapas, Satpati, Biswarup

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.62 MB

english, 2014

32

Ab initio molecular dynamics simulations of aqueous triflic acid confined in carbon nanotubes

Clark II, Jeffrey K., Habenicht, Bradley F., Paddison, Stephen J.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.03 MB

english, 2014

33

A computational study on the complexation of Np( v ) with N,N,N′,N′-tetramethyl-3-oxa-glutaramide (TMOGA) and its carboxylate analogs

Zeng, Jinghui, Yang, Xia, Liao, Jiali, Liu, Ning, Yang, Yuanyou, Chai, Zhifang, Wang, Dongqi

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.82 MB

english, 2014

34

The morphology dependent electrocatalytic activity of Ir nanostructures towards oxygen reduction

Chakrapani, Kalapu, Sampath, Srinivasan

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.78 MB

english, 2014

35

Doping of rhenium disulfide monolayers: a systematic first principles study

Çakır, Deniz, Sahin, Hasan, Peeters, François M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.17 MB

english, 2014

36

Covalently linked perylenetetracarboxylic diimide dimers and trimers with rigid “J-type” aggregation structure

Liu, Heyuan, Shen, Li, Cao, Zhaozhen, Li, Xiyou

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.77 MB

english, 2014

37

A new exchange–correlation functional free of delocalization and static correlation errors

Liu, Yu, Wu, Jianzhong

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.46 MB

english, 2014

38

Insight into the promiscuous activity of human carbonic anhydrase against the cyanic acid substrate from a combined QM and QM/MM investigation

Piazzetta, P., Marino, T., Russo, N.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.97 MB

english, 2014

39

Molecular motors pulling cargos in the viscoelastic cytosol: how power strokes beat subdiffusion

Goychuk, Igor, Kharchenko, Vasyl O., Metzler, Ralf

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.59 MB

english, 2014

40

Determining the molecular basis for the pH-dependent interaction between 2′-deoxynucleotides and 9H-pyrido[3,4-b]indole in its ground and electronic excited states

Gonzalez, M. Micaela, Denofrio, M. Paula, García Einschlag, Fernando S., Franca, Carlos A., Pis Diez, Reinaldo, Erra-Balsells, Rosa, Cabrerizo, Franco M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.82 MB

english, 2014

41

Understanding composition–property relationships in Ti–Cr–V–Mo alloys for optimisation of hydrogen storage in pressurised tanks

Callear, Samantha K., Ramirez-Cuesta, Anibal J., Kamazawa, Kazuya, Towata, Shin-ichi, Noritake, Tatsuo, Parker, Stewart F., Jones, Martin O., Sugiyama, Jun, Ishikiriyama, Mamoru, David, William I. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 5.05 MB

english, 2014

42

Surface functionalization of organic semiconductor films by segregated monolayers

Izawa, Seiichiro, Hashimoto, Kazuhito, Tajima, Keisuke

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.50 MB

english, 2014

43

On the infrared activation of the breathing mode of methane in ice

Escribano, R., Timón, V., Gálvez, O., Maté, B., Moreno, M. A., Herrero, V. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.88 MB

english, 2014

44

A TDDFT/MMPol/PCM model for the simulation of exciton-coupled circular dichroism spectra

Jurinovich, Sandro, Pescitelli, Gennaro, Di Bari, Lorenzo, Mennucci, Benedetta

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.57 MB

english, 2014

45

Photocatalytic reduction of o-chloronitrobenzene under visible light irradiation over CdS quantum dot sensitized TiO 2

Chang, Pingjing, Cheng, Haiyang, Li, Wei, Zhuo, Linhai, He, Limin, Yu, Yancun, Zhao, Fengyu

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.05 MB

english, 2014

46

Enhancing the hydrogen storage capacity of TiFe by utilizing clusters

Takahashi, Keisuke, Isobe, Shigehito

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.32 MB

english, 2014

47

Synthesis and photocatalysis performances of bismuth oxynitrate photocatalysts with layered structures

Lu, B., Zhu, Y.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.77 MB

english, 2014

48

Gas-surface reactions of nitrate radicals with vinyl-terminated self-assembled monolayers

Zhang, Yafen, Chapleski, Robert C., Lu, Jessica W., Rockhold, Thomas H., Troya, Diego, Morris, John R.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.27 MB

english, 2014

49

Electroanalysis of microbial anodes for bioelectrochemical systems: basics, progress and perspectives

Rimboud, M., Pocaznoi, D., Erable, B., Bergel, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.88 MB

english, 2014

50

Contamination-resistant silica antireflective coating with closed ordered mesopores

Sun, Jinghua, Zhang, Qinghua, Ding, Ruimin, Lv, Haibing, Yan, Hongwei, Yuan, Xiaodong, Xu, Yao

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.02 MB

english, 2014

51

Self-assembled surfactants on patterned surfaces: confinement and cooperative effects on aggregate morphology

Suttipong, Manaswee, Grady, Brian P., Striolo, Alberto

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.50 MB

english, 2014

52

Retrieving the translational diffusion coefficient of water from experiments on single levitated aerosol droplets

Lienhard, Daniel M., Huisman, Andrew J., Bones, David L., Te, Yiea-Funk, Luo, Bei P., Krieger, Ulrich K., Reid, Jonathan P.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.95 MB

english, 2014

53

Reaction dynamics of the 4-methylphenyl radical (C 6 H 4 CH 3 ; p-tolyl) with isoprene (C 5 H 8 ) – formation of dimethyldihydronaphthalenes

Dangi, Beni B., Yang, Tao, Kaiser, Ralf I., Mebel, Alexander M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.07 MB

english, 2014

54

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 6.27 MB

english, 2014

55

Nanoparticle dispersion in polymer nanocomposites by spin-diffusion-averaged paramagnetic enhanced NMR relaxometry: scaling relations and applications

Xu, Bo, Leisen, Johannes, Beckham, Haskell W.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.83 MB

english, 2014

56

Location change method for imaging chemical reactivity and catalysis with single-molecule and -particle fluorescence microscopy

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.88 MB

english, 2014

57

Energy transfer in aggregates of bacteriochlorophyll c self-assembled with azulene derivatives

Matěnová, Martina, Lorelei Horhoiu, Viviana, Dang, Florian-Xuan, Pospíšil, Petr, Alster, Jan, Burda, Jaroslav V., Silviu Balaban, Teodor, Pšenčík, Jakub

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.19 MB

english, 2014

58

Isothermal Onsager matrices and acceptor size effect on mass/charge transport properties of La 1.9 A 0.1 NiO 3.95+δ (A = Ca, Sr)

Kim, Hong-Seok, Yoo, Han-Ill

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.56 MB

english, 2014

59

Accessing the third dimension in localization-based super-resolution microscopy

Hajj, Bassam, El Beheiry, Mohamed, Izeddin, Ignacio, Darzacq, Xavier, Dahan, Maxime

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.51 MB

english, 2014

60

Non-uniform sampling in EPR – optimizing data acquisition for HYSCORE spectroscopy

Nakka, K. K., Tesiram, Y. A., Brereton, I. M., Mobli, M., Harmer, J. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.75 MB

english, 2014