Volume 16; Issue 21

Physical Chemistry Chemical Physics

Volume 16; Issue 21

1

AFM study of oxygen reduction products on HOPG in the LiPF6–DMSO electrolyte

Herrera, Santiago E., Tesio, Alvaro Y., Clarenc, Romain, Calvo, Ernesto J.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.23 MB

english, 2014

2

10.1039/C3CP54043J

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 2.64 MB

english

3

Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy

Chaudret, R., de Courcy, B., Contreras-García, J., Gloaguen, E., Zehnacker-Rentien, A., Mons, M., Piquemal, J.-P.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.25 MB

english, 2014

4

Effect of chromophore encapsulation on linear and nonlinear optical properties: the case of “miniSOG”, a protein-encased flavin

List, Nanna H., Pimenta, Frederico M., Holmegaard, Lotte, Jensen, Rasmus L., Etzerodt, Michael, Schwabe, Tobias, Kongsted, Jacob, Ogilby, Peter R., Christiansen, Ove

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.70 MB

english, 2014

5

Where macro meets micro

Berry, R. Stephen, Smirnov, Boris M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.69 MB

english, 2014

6

A combined DFT + U and Monte Carlo study on rare earth doped ceria

Grieshammer, Steffen, Grope, Benjamin O. H., Koettgen, Julius, Martin, Manfred

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.88 MB

english, 2014

7

Measuring the Brønsted acid strength of zeolites – does it correlate with the O–H frequency shift probed by a weak base?

Arean, Carlos O., Delgado, Montserrat R., Nachtigall, Petr, Thang, Ho Viet, Rubeš, Miroslav, Bulánek, Roman, Chlubná-Eliášová, Pavla

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.23 MB

english, 2014

8

Performance and durability of Pt/C cathode catalysts with different kinds of carbons for polymer electrolyte fuel cells characterized by electrochemical and in situ XAFS techniques

Nagasawa, Kensaku, Takao, Shinobu, Higashi, Kotaro, Nagamatsu, Shin-ichi, Samjeské, Gabor, Imaizumi, Yoshiaki, Sekizawa, Oki, Yamamoto, Takashi, Uruga, Tomoya, Iwasawa, Yasuhiro

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.15 MB

english, 2014

9

Copper–amyloid-β complex may catalyze peroxynitrite production in brain: evidence from molecular modeling

Giacovazzi, Roberto, Ciofini, Ilaria, Rao, Li, Amatore, Christian, Adamo, Carlo

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.12 MB

english, 2014

10

Crystal polymorphism: dependence of oxygen diffusion through 2D ordered Co nanocrystals

Yang, Zhijie, Yang, Jianhui, Bergström, Johanna, Khazen, Khashayar, Pileni, Marie-Paule

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.96 MB

english, 2014

11

10.1039/C3CP54274B

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 1.53 MB

english

12

Electronic structure of positive and negative polarons in functionalized dithienylthiazolo[5,4-d]thiazoles: a combined EPR and DFT study

Ling, Yun, Van Mierloo, Sarah, Schnegg, Alexander, Fehr, Matthias, Adriaensens, Peter, Lutsen, Laurence, Vanderzande, Dirk, Maes, Wouter, Goovaerts, Etienne, Van Doorslaer, Sabine

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.01 MB

english, 2014

13

Cyclotriphosphazene appended porphyrins and fulleropyrrolidine complexes as supramolecular multiple photosynthetic reaction centers: steady and excited states photophysical investigation

Nair, Vishnu Sukumaran, Pareek, Yogita, Karunakaran, Venugopal, Ravikanth, Mangalampalli, Ajayaghosh, Ayyappanpillai

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.12 MB

english, 2014

14

A high-performance platinum electrocatalyst loaded on a graphene hydrogel for high-rate methanol oxidation

Wang, Xiluan, Li, Chun, Shi, Gaoquan

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.30 MB

english, 2014

15

Porphyrin-based sensor nanoarchitectonics in diverse physical detection modes

Ishihara, Shinsuke, Labuta, Jan, Van Rossom, Wim, Ishikawa, Daisuke, Minami, Kosuke, Hill, Jonathan P., Ariga, Katsuhiko

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 10.68 MB

english, 2014

16

Electrochemical activation of pristine single walled carbon nanotubes: impact on oxygen reduction and other surface sensitive redox processes

Miller, Thomas S., Macpherson, Julie V., Unwin, Patrick R.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.03 MB

english, 2014

17

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

Mardirossian, Narbe, Head-Gordon, Martin

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.50 MB

english, 2014

18

Theory of charge hopping along a disordered polymer chain

Fornari, Rocco P., Troisi, Alessandro

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.19 MB

english, 2014

19

The nature of coherences in the B820 bacteriochlorophyll dimer revealed by two-dimensional electronic spectroscopy

Ferretti, Marco, Novoderezhkin, Vladimir I., Romero, Elisabet, Augulis, Ramunas, Pandit, Anjali, Zigmantas, Donatas, Grondelle, Rienk van

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.74 MB

english, 2014

20

Nanoporous molybdenum carbide wires as an active electrocatalyst towards the oxygen reduction reaction

Liao, Lei, Bian, Xiaojun, Xiao, Jingjing, Liu, Baohong, Scanlon, Micheál D., Girault, Hubert H.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.14 MB

english, 2014

21

10.1039/c3cp54292k

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 2.86 MB

english

22

Ab initio and semi-empirical Molecular Dynamics simulations of chemical reactions in isolated molecules and in clusters

Gerber, R. B., Shemesh, D., Varner, M. E., Kalinowski, J., Hirshberg, B.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.88 MB

english, 2014

23

Coupled-cluster calculations of the lowest 0–0 bands of the electronic excitation spectrum of naphthalene

Fliegl, Heike, Sundholm, Dage

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.06 MB

english, 2014

24

Dynamics of the O(3P) + C2H2 reaction from crossed molecular beam experiments with soft electron ionization detection

Leonori, Francesca, Balucani, Nadia, Capozza, Giovanni, Segoloni, Enrico, Volpi, Gian Gualberto, Casavecchia, Piergiorgio

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.48 MB

english, 2014

25

10.1039/c3cp54569e

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 1.93 MB

english

26

Ultrafast resonance energy transfer in the umbelliferone–alizarin bichromophore

Lapini, Andrea, Fabbrizzi, Pierangelo, Piccardo, Matteo, di Donato, Mariangela, Lascialfari, Luisa, Foggi, Paolo, Cicchi, Stefano, Biczysko, Malgorzata, Carnimeo, Ivan, Santoro, Fabrizio, Cappelli, Ch

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.03 MB

english, 2014

27

Directions of chemical change: experimental characterization of the stereodynamics of photodissociation and reactive processes

Kasai, Toshio, Che, Dock-Chil, Okada, Michio, Tsai, Po-Yu, Lin, King-Chuen, Palazzetti, Federico, Aquilanti, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.63 MB

english, 2014

28

The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole

Kolář, Michal, Hostaš, Jiří, Hobza, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.27 MB

english, 2014

29

Contents list

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 6.27 MB

english, 2014

30

Advanced magnetic resonance strategies for the elucidation of nanostructured soft matter

Graf, R., Hansen, M. R., Hinderberger, D., Muennemann, K., Spiess, H. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.42 MB

english, 2014

31

10.1039/c3cp53908c

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 3.11 MB

english

32

Construction of a metal–organic monolayer–semiconductor junction on a hydrogen-terminated Si(111) surface via Si–C covalent linkage and its electrical properties

Uosaki, K., Fukumitsu, H., Masuda, T., Qu, D.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.78 MB

english, 2014

33

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2014

File:

PDF, 353 KB

2014

34

Control of conformers combining cooling by supersonic expansion of seeded molecular beams with hexapole selection and alignment: experiment and theory on 2-butanol

Palazzetti, Federico, Maciel, Glauciete S., Kanda, Keita, Nakamura, Masaaki, Che, Dock-Chil, Kasai, Toshio, Aquilanti, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.40 MB

english, 2014

35

Human serum albumin binding to silica nanoparticles – effect of protein fatty acid ligand

Ang, Joo Chuan, Henderson, Mark J., Campbell, Richard A., Lin, Jhih-Min, Yaron, Peter N., Nelson, Andrew, Faunce, Thomas, White, John W.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.47 MB

english, 2014

36

Magnetic nanoparticle clusters as actuators of ssDNA release

Banchelli, M., Nappini, S., Montis, C., Bonini, M., Canton, P., Berti, D., Baglioni, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.83 MB

english, 2014

37

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2014

File:

PDF, 422 KB

2014

38

A hybrid bis(amino-styryl) substituted Bodipy dye and its conjugate diacid: synthesis, structure, spectroscopy and quantum chemical calculations

Nano, Adela, Retailleau, Pascal, Hagon, Jerry P., Harriman, Anthony, Ziessel, Raymond

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.40 MB

english, 2014

39

Dispersion corrected DFT approaches for anharmonic vibrational frequency calculations: nucleobases and their dimers

Fornaro, Teresa, Biczysko, Malgorzata, Monti, Susanna, Barone, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.44 MB

english, 2014

40

Numerical calculations of space charge layer effects in nanocrystalline ceria. Part I: comparison with the analytical models and derivation of improved analytical solutions

Göbel, Marcus C., Gregori, Giuliano, Maier, Joachim

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 6.04 MB

english, 2014

41

10.1039/c3cp54233e

Journal:

Physical Chemistry Chemical Physics

Language:

english

File:

PDF, 3.40 MB

english

42

Local silico-aluminophosphate interfaces within phosphated H-ZSM-5 zeolites

van der Bij, Hendrik E., Weckhuysen, Bert M.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 4.09 MB

english, 2014

43

Gd3+ spin labeling for distance measurements by pulse EPR spectroscopy

Goldfarb, Daniella

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.51 MB

english, 2014

44

Numerical calculations of space charge layer effects in nanocrystalline ceria. Part II: detailed analysis of the space charge layer properties

Göbel, Marcus C., Gregori, Giuliano, Maier, Joachim

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 6.26 MB

english, 2014

45

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 1.71 MB

english, 2014

46

PCCP’s 15th anniversary

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 885 KB

english, 2014

47

Sensitivity of local hydration behaviour and conformational preferences of peptides to choice of water model

Nayar, Divya, Chakravarty, Charusita

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 8.55 MB

english, 2014

48

The Raman spectrum of isolated water clusters

Otto, Katharina E., Xue, Zhifeng, Zielke, Philipp, Suhm, Martin A.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.16 MB

english, 2014