Volume 15; Issue 18

Physical Chemistry Chemical Physics

Volume 15; Issue 18

1

10.1039/c2cp43735j

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 2.45 MB

english

2

Modeling environment effects on spectroscopies through QM/classical models

Mennucci, Benedetta

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 5.00 MB

english, 2013

3

QM/MM simulations of vibrational spectra of bacteriorhodopsin and channelrhodopsin-2

Welke, Kai, Watanabe, Hiroshi C., Wolter, Tino, Gaus, Michael, Elstner, Marcus

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 993 KB

english, 2013

4

Ultrafast photoinduced dynamics of halogenated cyclopentadienes: observation of geminate charge-transfer complexes in solution

Wolf, T. J. A., Schalk, O., Radloff, R., Wu, G., Lang, P., Stolow, A., Unterreiner, A.-N.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.47 MB

english, 2013

5

10.1039/c2cp42694c

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 1.46 MB

english

6

Rotational spectroscopy meets theory

Puzzarini, Cristina

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.19 MB

english, 2013

7

High permeability and salt rejection reverse osmosis by a zeolite nano-membrane

Liu, Yilun, Chen, Xi

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.61 MB

english, 2013

8

Computing vibrational spectra from ab initio molecular dynamics

Thomas, Martin, Brehm, Martin, Fligg, Reinhold, Vöhringer, Peter, Kirchner, Barbara

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.36 MB

english, 2013

9

Photoelectrical properties and the electronic structure of Tl1−xIn1−xSnxSe2 (x = 0, 0.1, 0.2, 0.25) single crystalline alloys

Davydyuk, G. E., Khyzhun, O. Y., Reshak, A. H., Kamarudin, H., Myronchuk, G. L., Danylchuk, S. P., Fedorchuk, A. O., Piskach, L. V., Mozolyuk, M. Yu., Parasyuk, O. V.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.42 MB

english, 2013

10

Linking interfacial chemistry of CO2 to surface structures of hydrated metal oxide nanoparticles: hematite

Chernyshova, Irina V., Ponnurangam, Sathish, Somasundaran, Ponisseril

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.23 MB

english, 2013

11

Impact of short and long-range effects on the magnetic interactions in neutral organic radical-based materials

Domingo, Alex, Vérot, Martin, Mota, Fernando, de Graaf, Coen, Novoa, Juan J., Robert, Vincent

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

12

Microscopic effects of the bonding configuration of nitrogen-doped graphene on its reactivity toward hydrogen peroxide reduction reaction

Wu, Ping, Du, Pan, Zhang, Hui, Cai, Chenxin

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.88 MB

english, 2013

13

Specific many-electron effects in X-ray spectra of simple metals and graphene

Ovcharenko, R. E., Tupitsyn, I. I., Savinov, E. P., Voloshina, E. N., Paulus, B., Dedkov, Yu. S., Shulakov, A. S.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.71 MB

english, 2013

14

Stable and high-rate overcharge protection for rechargeable lithium batteries

Wang, Bin, Richardson, Thomas J., Chen, Guoying

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.92 MB

english, 2013

15

Photoinduced energy and charge transfer in a p-phenylene-linked dyad of boron dipyrromethene and monostyryl boron dipyrromethene

Menting, Roel, Liu, Jian-Yong, Huang, Ying-Si, Ng, Dennis K. P., Röder, Beate, Ermilov, Eugeny A.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.64 MB

english, 2013

16

“Benzation” of graphene upon addition of monovalent chemical species

Popov, Ivan A., Li, Yafei, Chen, Zhongfang, Boldyrev, Alexander I.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.42 MB

english, 2013

17

Ultrahigh-efficiency photocatalysts based on mesoporous Pt–WO3 nanohybrids

Wen, Zhenhai, Wu, Wei, Liu, Zhuang, Zhang, Hao, Li, Jinghong, Chen, Junhong

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.88 MB

english, 2013

18

10.1039/C2CP43808A

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 2.98 MB

english

19

Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study

Gou, Qian, Feng, Gang, Evangelisti, Luca, Vallejo-López, Montserrat, Lesarri, Alberto, Cocinero, Emilio J., Caminati, Walther

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

20

Azidoacetylene – interpretation of gas phase infrared spectra based on high-level vibrational configuration interaction calculations

Oschetzki, Dominik, Zeng, Xiaoqing, Beckers, Helmut, Banert, Klaus, Rauhut, Guntram

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.72 MB

english, 2013

21

Thermodynamics of oligomer formation: implications for secondary organic aerosol formation and reactivity

DePalma, Joseph W., Horan, Andrew J., Hall IV, Wiley A., Johnston, Murray V.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

22

Experimental visualization of the Bi–O covalency in ferroelectric bismuth ferrite (BiFeO3) by synchrotron X-ray powder diffraction analysis

Fujii, Kotaro, Kato, Hiroki, Omoto, Kazuki, Yashima, Masatomo, Chen, Jun, Xing, Xianran

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.84 MB

english, 2013

23

Visible light initiated and collapsed resistive switching in TbMnO3/Nb:SrTiO3 heterojunctions

Cui, Yimin, Liu, Wei, Wang, Rongming

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.20 MB

english, 2013

24

Comparing molecular photofragmentation dynamics in the gas and liquid phases

Harris, Stephanie J., Murdock, Daniel, Zhang, Yuyuan, Oliver, Thomas A. A., Grubb, Michael P., Orr-Ewing, Andrew J., Greetham, Gregory M., Clark, Ian P., Towrie, Michael, Bradforth, Stephen E., Ashfol

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.43 MB

english, 2013

25

Enhancing the stability of polymer solar cells by improving the conductivity of the nanostructured MoO3 hole-transport layer

Elumalai, Naveen Kumar, Saha, Amitaksha, Vijila, Chellappan, Jose, Rajan, Jie, Zhang, Ramakrishna, Seeram

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.83 MB

english, 2013

26

Low temperature synthesis of wurtzite zinc sulfide (ZnS) thin films by chemical spray pyrolysis

Zeng, Xin, Pramana, Stevin S., Batabyal, Sudip K., Mhaisalkar, Subodh G., Chen, Xiaodong, Jinesh, K. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.95 MB

english, 2013

27

Adsorption of diferrocenylacetylene on Au(111) studied by scanning tunneling microscopy

Quardokus, Rebecca C., Wasio, Natalie A., Forrest, Ryan P., Lent, Craig S., Corcelli, Steven A., Christie, John A., Henderson, Kenneth W., Alex Kandel, S.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.25 MB

english, 2013

28

Reliable contact fabrication on nanostructured Bi2Te3-based thermoelectric materials

Feng, Shien-Ping, Chang, Ya-Huei, Yang, Jian, Poudel, Bed, Yu, Bo, Ren, Zhifeng, Chen, Gang

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.53 MB

english, 2013

29

Potential energy surfaces for ground and excited electronic states of the CF3I molecule and their relevance to its A-band photodissociation

Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Buenker, Robert J.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

30

Fast phase formation of double-filled p-type skutterudites by ball-milling and hot-pressing

Jie, Qing, Wang, Hengzhi, Liu, Weishu, Wang, Hui, Chen, Gang, Ren, Zhifeng

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.97 MB

english, 2013

31

On the role of singlet versus triplet excited states in the uncaging of ortho-nitrobenzyl caged compounds

Mewes, Jan-Michael, Dreuw, Andreas

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.94 MB

english, 2013

32

Origin of electrolyte-dopant dependent sulfur poisoning of SOFC anodes

Zeng, ZhenHua, Björketun, Mårten E., Ebbesen, Sune, Mogensen, Mogens B., Rossmeisl, Jan

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.52 MB

english, 2013

33

In situ fluorescence and electrochemical monitoring of a photosynthetic microbial fuel cell

Inglesby, Alister E., Yunus, Kamran, Fisher, Adrian C.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.81 MB

english, 2013

34

Recovering degraded quasi-solid-state dye-sensitized solar cells by applying electrical pulses

Zhang, Xi, Huang, Xuezhen, Jiang, Hongrui

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.76 MB

english, 2013

35

Experimental evidence for surface freezing in supercooled n-alkane nanodroplets

Modak, Viraj P., Pathak, Harshad, Thayer, Mitchell, Singer, Sherwin J., Wyslouzil, Barbara E.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.55 MB

english, 2013

36

Temperature and time dependence on ZnS microstructure and phases obtained through hydrothermal decomposition of diethyldithiocarbamate complexes

Siqueira, Guilherme Oliveira, Matencio, Tulio, da Silva, Herculano Vieira, de Souza, Yara Gonçalves, Ardisson, José Domingos, de Lima, Geraldo Magela, de Oliveira Porto, Arilza

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.67 MB

english, 2013

37

Investigation on the electronic structure of BN nanosheets synthesized via carbon-substitution reaction: the arrangement of B, N, C and O atoms

Liu, Lijia, Sham, Tsun-Kong, Han, Weiqiang

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

38

Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C58-dimers on Au(111)

Wilhelm, Jan, Walz, Michael, Stendel, Melanie, Bagrets, Alexei, Evers, Ferdinand

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.80 MB

english, 2013

39

Understanding multi-quantum NMR through secular approximation

Srivastava, Deepansh, Venkata SubbaRao, R., Ramachandran, Ramesh

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.39 MB

english, 2013

40

Thermal oxidation of Ni films for p-type thin-film transistors

Jiang, Jie, Wang, Xinghui, Zhang, Qing, Li, Jingqi, Zhang, X. X.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.94 MB

english, 2013

41

In situ determination of the surface excess upon electrochemical sulfate adsorption on Au(111) films by surface plasmon resonance

Timm, Axel Eric, Nattland, Detlef, Schuster, Rolf

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.45 MB

english, 2013

42

Manipulating dynamics with chemical structure: probing vibrationally-enhanced tunnelling in photoexcited catechol

Chatterley, Adam S., Young, Jamie D., Townsend, Dave, Żurek, Justyna M., Paterson, Martin J., Roberts, Gareth M., Stavros, Vasilios G.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 3.50 MB

english, 2013

43

Laser directed lithography of asymmetric graphene ribbons on a polydimethylsiloxane trench structure

Tian, He, Yang, Yi, Xie, Dan, Ren, Tian-Ling, Shu, Yi, Sun, Hui, Zhou, Chang-Jian, Liu, Xuan, Tao, Lu-Qi, Ge, Jie, Zhang, Cang-Hai, Zhang, Yuegang

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.24 MB

english, 2013

44

Rovibrational states of ClHCl− isotopologues up to high J: a joint theoretical and spectroscopic investigation

Sebald, Peter, Oswald, Rainer, Botschwina, Peter, Kawaguchi, Kentarou

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.14 MB

english, 2013

45

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.00 MB

english, 2013

46

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2013

File:

PDF, 937 KB

2013

47

Staying hydrated: the molecular journey of gaseous sulfur dioxide to a water surface

Shamay, Eric S., Valley, Nicholas A., Moore, Frederick G., Richmond, Geraldine L.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.21 MB

english, 2013

48

Photovoltaic devices and characterization of a dodecyloxybenzothiadiazole-based copolymer

Maharjan, Purna P., Chen, Qiliang, Zhang, Lianjie, Adebanjo, Olusegun, Adhikari, Nirmal, Venkatesan, Swaminathan, Adhikary, Prajwal, Vaagensmith, Bjorn, Qiao, Qiquan

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.83 MB

english, 2013

49

Switching kinetics of electrochemical metallization memory cells

Menzel, Stephan, Tappertzhofen, Stefan, Waser, Rainer, Valov, Ilia

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.01 MB

english, 2013

50

Electron tunneling from electronically excited states of isolated bisdisulizole-derived trianion chromophores following UV absorption

Winghart, Marc-Oliver, Yang, Ji-Ping, Kühn, Michael, Unterreiner, Andreas-Neil, Wolf, Thomas J. A., Dau, Phuong D., Liu, Hong-Tao, Huang, Dao-Ling, Klopper, Wim, Wang, Lai-Sheng, Kappes, Manfred M.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.48 MB

english, 2013

51

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 7.12 MB

english, 2013

52

Complementary mechanistic properties of Fe- and Mn-doped aluminophosphates in the catalytic aerobic oxidation of hydrocarbons

Gómez-Hortigüela, Luis, Corà, Furio, Catlow, C. Richard A.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.83 MB

english, 2013

53

Improving the thermoelectric properties of half-Heusler TiNiSn through inclusion of a second full-Heusler phase: microwave preparation and spark plasma sintering of TiNi1+xSn

Birkel, Christina S., Douglas, Jason E., Lettiere, Bethany R., Seward, Gareth, Verma, Nisha, Zhang, Yichi, Pollock, Tresa M., Seshadri, Ram, Stucky, Galen D.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.46 MB

english, 2013

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