Physical Chemistry Chemical Physics

1

The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals

Thatcher Borden, Weston, Carl Lineberger, W.

Journal:

Year:

2011

Language:

english

File:

PDF, 2.88 MB

english, 2011

2

Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivative

Tzeli, Demeter, Petsalakis, Ioannis D., Theodorakopoulos, Giannoula

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.82 MB

english, 2011

3

Distorted fused porphyrin–phthalocyanine conjugates: synthesis and photophysics of supramolecular assembled systems with a pyridylfullerene

Pereira, Ana M. V. M., Soares, Ana R. M., Hausmann, Anita, Neves, Maria G. P. M. S., Tomé, Augusto C., Silva, Artur M. S., Cavaleiro, José A. S., Guldi, Dirk M., Torres, Tomás

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.36 MB

english, 2011

4

Structural organization and phase behaviour of 1-butyl-3-methylimidazolium hexafluorophosphate: an high pressure Raman spectroscopy study

Russina, Olga, Fazio, Barbara, Schmidt, Christian, Triolo, Alessandro

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.21 MB

english, 2011

5

Nature of adhesion of condensed organic films on platinum by first-principles simulations

Laref, Slimane, Li, Yan, Bocquet, Marie-Laure, Delbecq, Françoise, Sautet, Philippe, Loffreda, David

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 5.54 MB

english, 2011

6

Nature of anion-templated π+–π+ interactions

Geronimo, Inacrist, Jiten Singh, N., Kim, Kwang S.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.48 MB

english, 2011

7

Emission-photoactivity cross-processing of mesoporous interfacial charge transfer in Eu3+ doped titania

Leroy, Céline Marie, Wang, Hong Feng, Fargues, Alexandre, Cardinal, Thierry, Jubera, Véronique, Treguer-Delapierre, Mona, Boissière, Cédric, Grosso, David, Sanchez, Clément, Viana, Bruno, Pellé, Fabie

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.67 MB

english, 2011

8

Crystallisation kinetics of some archetypal ionic liquids: isothermal and non-isothermal determination of the Avrami exponent

Pas, Steven J., Dargusch, Matthew S., MacFarlane, Douglas R.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.26 MB

english, 2011

9

Uncovering the role of the ZnS treatment in the performance of quantum dot sensitized solar cells

Guijarro, Néstor, Campiña, José M., Shen, Qing, Toyoda, Taro, Lana-Villarreal, Teresa, Gómez, Roberto

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.22 MB

english, 2011

10

On the physisorption of water on graphene: a CCSD(T) study

Voloshina, Elena, Usvyat, Denis, Schütz, Martin, Dedkov, Yuriy, Paulus, Beate

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.53 MB

english, 2011

11

Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region

Collini, E., Carlotto, S., Ferrante, C., Bozio, R., Polimeno, A., Bloino, J., Barone, V., Ronchi, E., Beverina, L., Pagani, G. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.42 MB

english, 2011

12

Influence of surface chemistry and protein concentration on the adsorption rate and S-layer crystal formation

López, Aitziber Eleta, Pum, Dietmar, Sleytr, Uwe B., Toca-Herrera, José L.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.74 MB

english, 2011

13

Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?—testing the model against charged systems in singlet and triplet states

Dominikowska, Justyna, Palusiak, Marcin

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 976 KB

english, 2011

14

Density functional study on the increment of carrier mobility in armchair graphene nanoribbons induced by Stone–Wales defects

Wang, Guo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.72 MB

english, 2011

15

Boron environments in Pyrex® glass—a high resolution, Double-Rotation NMR and thermodynamic modelling study

Howes, A. P., Vedishcheva, N. M., Samoson, A., Hanna, J. V., Smith, M. E., Holland, D., Dupree, R.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.79 MB

english, 2011

16

Simulations of photoemission and equilibrium redox processes of ionic liquids: the role of ion pairing and long-range polarization

Šištík, Lukáš, Ončák, Milan, Slavíček, Petr

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.07 MB

english, 2011

17

Vibrational predissociation dynamics of Cl2(B)–He2: a wave packet study

García-Vela, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.01 MB

english, 2011

18

Multicolored electrochromism in 4,4′-biphenyl dicarboxylic acid diethyl ester

Imaizumi, Kinji, Watanabe, Yuichi, Nakamura, Kazuki, Omatsu, Takashige, Kobayashi, Norihisa

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.25 MB

english, 2011

19

Contrasting the denaturing effect of guanidinium chloride with the stabilizing effect of guanidinium sulfate

Graziano, Giuseppe

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 796 KB

english, 2011

20

Molecular dynamics simulation study on the isomerization and molecular orientation of liquid crystals formed by azobenzene and (1-cyclohexenyl)phenyldiazene

Xue, Xiang-Gui, Zhao, Li, Lu, Zhong-Yuan, Li, Ming-Hui, Li, Ze-Sheng

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.37 MB

english, 2011

21

Solute–solvent friction kernels and solution properties of methyl oxazoline–phenyl oxazoline (MeOx–PhOx) copolymers in binary ethanol–water mixtures

Das, Ashok K., Hong, Po-Da

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.31 MB

english, 2011

22

The fourth virial coefficient of a nonadditive hard-disc mixture

Saija, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.50 MB

english, 2011

23

Structural modification of nanocrystalline ceria by ion beams

Zhang, Yanwen, Edmondson, Philip D., Varga, Tamas, Moll, Sandra, Namavar, Fereydoon, Lan, Chune, Weber, William J.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.50 MB

english, 2011

24

Internal structure, hygroscopic and reactive properties of mixed sodium methanesulfonate-sodium chloride particles

Liu, Y., Minofar, B., Desyaterik, Y., Dames, E., Zhu, Z., Cain, J. P., Hopkins, R. J., Gilles, M. K., Wang, H., Jungwirth, P., Laskin, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.59 MB

english, 2011

25

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.98 MB

english, 2011

26

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

File:

PDF, 1.05 MB

2011

27

A comparative first-principles study of orbital hybridization in two-dimensional C, Si, and Ge

Wang, Shaoqing

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.60 MB

english, 2011

28

Back matter

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 14.57 MB

english, 2011

29

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

File:

PDF, 1.03 MB

2011

30

Study of structural and dynamic properties of liquid phenyltrimethoxysilane

Karki, Khadga, Materny, Arnulf, Roccatano, Danilo

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.85 MB

english, 2011

31

Opportunistic use of tetrachloroaurate photolysis in the generation of reductive species for the production of gold nanostructures

McGilvray, Katherine L., Granger, Jenna, Correia, Maria, Banks, Jeffrey T., Scaiano, J. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.34 MB

english, 2011

32

Using the face-saturated incomplete cage analysis to quantify the cage compositions and cage linking structures of amorphous phase hydrates

Guo, Guang-Jun, Zhang, Yi-Gang, Liu, Chan-Juan, Li, Kai-Hua

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.80 MB

english, 2011

33

Phase transitions of an ionic liquid self-assembled monolayer on Au

Branca, Mathieu, Correia-Ledo, Debby, Bolduc, Olivier R., Ratel, Mathieu, Schmitzer, Andreea R., Masson, Jean-Francois

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.71 MB

english, 2011

34

Fluorescence quantum yield and photochemistry of bacteriophytochrome constructs

Toh, K. C., Stojković, Emina A., van Stokkum, Ivo H. M., Moffat, Keith, Kennis, John T. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.75 MB

english, 2011

35

Relationship between the c(4×2) and the (√3×√3)R30° phases in alkanethiol self-assembled monolayers on Au(111)

Li, Fangsen, Tang, Lin, Zhou, Wancheng, Guo, Quanmin

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 5.90 MB

english, 2011

36

Time-resolved emission of flavin adenine dinucleotide in water and water–methanol mixtures

Radoszkowicz, Limor, Presiado, Itay, Erez, Yuval, Nachliel, Esther, Huppert, Dan, Gutman, Menachem

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.28 MB

english, 2011

37

Towards experimental determination of conical intersection properties: a twin state based comparison with bound excited states

Zilberg, Shmuel, Haas, Yehuda

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.92 MB

english, 2011

38

Volume 13; Issue 25

The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals

Electronic structure and absorption spectra of supramolecular complexes of a fullerene crown ether with a π-extended TTF derivative

Distorted fused porphyrin–phthalocyanine conjugates: synthesis and photophysics of supramolecular assembled systems with a pyridylfullerene

Structural organization and phase behaviour of 1-butyl-3-methylimidazolium hexafluorophosphate: an high pressure Raman spectroscopy study

Nature of adhesion of condensed organic films on platinum by first-principles simulations

Nature of anion-templated π+–π+ interactions

Emission-photoactivity cross-processing of mesoporous interfacial charge transfer in Eu3+ doped titania

Crystallisation kinetics of some archetypal ionic liquids: isothermal and non-isothermal determination of the Avrami exponent

Uncovering the role of the ZnS treatment in the performance of quantum dot sensitized solar cells

On the physisorption of water on graphene: a CCSD(T) study

Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region

Influence of surface chemistry and protein concentration on the adsorption rate and S-layer crystal formation

Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?—testing the model against charged systems in singlet and triplet states

Density functional study on the increment of carrier mobility in armchair graphene nanoribbons induced by Stone–Wales defects

Boron environments in Pyrex® glass—a high resolution, Double-Rotation NMR and thermodynamic modelling study

Simulations of photoemission and equilibrium redox processes of ionic liquids: the role of ion pairing and long-range polarization

Vibrational predissociation dynamics of Cl2(B)–He2: a wave packet study

Multicolored electrochromism in 4,4′-biphenyl dicarboxylic acid diethyl ester

Contrasting the denaturing effect of guanidinium chloride with the stabilizing effect of guanidinium sulfate

Molecular dynamics simulation study on the isomerization and molecular orientation of liquid crystals formed by azobenzene and (1-cyclohexenyl)phenyldiazene

Solute–solvent friction kernels and solution properties of methyl oxazoline–phenyl oxazoline (MeOx–PhOx) copolymers in binary ethanol–water mixtures

The fourth virial coefficient of a nonadditive hard-disc mixture

Structural modification of nanocrystalline ceria by ion beams

Internal structure, hygroscopic and reactive properties of mixed sodium methanesulfonate-sodium chloride particles

Back cover

Front cover

A comparative first-principles study of orbital hybridization in two-dimensional C, Si, and Ge

Back matter

Inside front cover

Study of structural and dynamic properties of liquid phenyltrimethoxysilane

Opportunistic use of tetrachloroaurate photolysis in the generation of reductive species for the production of gold nanostructures

Using the face-saturated incomplete cage analysis to quantify the cage compositions and cage linking structures of amorphous phase hydrates

Phase transitions of an ionic liquid self-assembled monolayer on Au

Fluorescence quantum yield and photochemistry of bacteriophytochrome constructs

Relationship between the c(4×2) and the (√3×√3)R30° phases in alkanethiol self-assembled monolayers on Au(111)

Time-resolved emission of flavin adenine dinucleotide in water and water–methanol mixtures

Towards experimental determination of conical intersection properties: a twin state based comparison with bound excited states

Contents