Physical Chemistry Chemical Physics

1

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

Goerigk, Lars, Grimme, Stefan

Journal:

Year:

2011

Language:

english

File:

PDF, 2.44 MB

english, 2011

2

The mixed network former effect in glasses: solid state NMR and XPS structural studies of the glass system (Na2O)x(BPO4)1−x

Rinke, Matthias T., Eckert, Hellmut

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.82 MB

english, 2011

3

Study of host–guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations

Nowicka, Katarzyna, Bujacz, Anna, Paluch, Piotr, Sobczuk, Adam, Jeziorna, Agata, Ciesielski, Włodzimierz, Bujacz, Grzegorz D., Jurczak, Janusz, Potrzebowski, Marek J.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.61 MB

english, 2011

4

Fabrication of CuInS2 films from electrodeposited Cu/In bilayers: effects of preheat treatment on their structural, photoelectrochemical and solar cell properties

Lee, Sun Min, Ikeda, Shigeru, Yagi, Tetsuro, Harada, Takashi, Ennaoui, Ahmed, Matsumura, Michio

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.77 MB

english, 2011

5

On the hydrogen bond networks in the water–methanol mixtures: topology, percolation and small-world

Batista da Silva, Juliana Angeiras, Moreira, Francisco George Brady, Leite dos Santos, Vivianni Marques, Longo, Ricardo Luiz

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.37 MB

english, 2011

6

Thermodynamic characterization of the biocompatible ionic liquid effects on protein model compounds and their functional groups

Attri, Pankaj, Venkatesu, Pannuru

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.81 MB

english, 2011

7

Quantification of binding affinities of essential sugars with a tryptophan analogue and the ubiquitous role of C–H⋯π interactions

Kumari, Manju, Balaji, Petety V., Sunoj, Raghavan B.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.56 MB

english, 2011

8

Catalysis by metal–organic frameworks: fundamentals and opportunities

Ranocchiari, Marco, Bokhoven, Jeroen Anton van

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.37 MB

english, 2011

9

Beta-amyloid oligomerisation monitored by intrinsic tyrosine fluorescence

Amaro, Mariana, Birch, David J. S., Rolinski, Olaf J.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.37 MB

english, 2011

10

Structure–property relations in crystalline l-leucine obtained from calorimetry, X-rays, neutron and Raman scattering

Façanha Filho, Pedro F., Jiao, Xueshe, Freire, Paulo T. C., Lima Jr., José A., dos Santos, Adenilson O., Henry, Paul F., Yokaichiya, Fabiano, Kremner, Ewout, Bordallo, Heloisa N.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.84 MB

english, 2011

11

The influence of dye structure on charge recombination in dye-sensitized solar cells

Jennings, James R., Liu, Yeru, Wang, Qing, Zakeeruddin, Shaik M., Grätzel, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.74 MB

english, 2011

12

Development of a semiempirical potential for simulations of thiol–gold interfaces. Application to thiol-protected gold nanoparticles

Olmos-Asar, Jimena A., Rapallo, Arnaldo, Mariscal, Marcelo M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.98 MB

english, 2011

13

Mechanisms and advancement of antifading agents for fluorescence microscopy and single-molecule spectroscopy

Cordes, Thorben, Maiser, Andreas, Steinhauer, Christian, Schermelleh, Lothar, Tinnefeld, Philip

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.70 MB

english, 2011

14

Patchy colloids: state of the art and perspectives

Bianchi, Emanuela, Blaak, Ronald, Likos, Christos N.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.80 MB

english, 2011

15

Structures and reaction mechanisms of glycerol dehydration over H-ZSM-5 zeolite: a density functional theory study

Kongpatpanich, Kanokwan, Nanok, Tanin, Boekfa, Bundet, Probst, Michael, Limtrakul, Jumras

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 6.25 MB

english, 2011

16

Effects of surface curvature and surface chemistry on the structure and activity of proteins adsorbed in nanopores

Sang, Lung-Ching, Coppens, Marc-Olivier

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.50 MB

english, 2011

17

Structure of clean and hydrated α-Al2O3 (11̄02) surfaces: implication on surface charge

Tougerti, Asma, Méthivier, Christophe, Cristol, Sylvain, Tielens, Frederik, Che, Michel, Carrier, Xavier

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.82 MB

english, 2011

18

Multinuclear solid state NMR investigation of two polymorphic forms of Ciprofloxacin-saccharinate

Garro Linck, Y., Chattah, A. K., Graf, R., Romañuk, C. B., Olivera, M. E., Manzo, R. H., Monti, G. A., Spiess, H. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

19

Unusual decrease in conductivity upon hydration in acceptor doped, microcrystalline ceria

Chueh, William C., Yang, Chih-Kai, Garland, Carol M., Lai, Wei, Haile, Sossina M.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.89 MB

english, 2011

20

Resonant inelastic X-ray scattering and X-ray absorption spectroscopy on the negative electrode material Li0.5Ni0.25TiOPO4 in a Li-ion battery

Hollmark, H. M., Maher, K., Saadoune, I., Gustafsson, T., Edström, K., Duda, L.-C.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.83 MB

english, 2011

21

Reactive uptake kinetics of NO3 on multicomponent and multiphase organic mixtures containing unsaturated and saturated organics

Xiao, S., Bertram, A. K.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 917 KB

english, 2011

22

Photoinduced pH drops in water

Emond, Matthieu, Sun, Jing, Grégoire, Jean, Maurin, Sylvie, Tribet, Christophe, Jullien, Ludovic

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.29 MB

english, 2011

23

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

24

Entropy-driven rearrangement of the water network at the hydrated amide group of the trans-formanilide–water cluster in the gas phase

Sakota, Kenji, Shimazaki, Yuiga, Sekiya, Hiroshi

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.38 MB

english, 2011

25

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 685 KB

english, 2011

26

Magnetic and conduction properties in 1D organic radical materials: an ab initio inspection for a challenging quest

Vérot, Martin, Rota, Jean-Baptiste, Kepenekian, Mikaël, Guennic, Boris Le, Robert, Vincent

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.51 MB

english, 2011

27

Kinetics and dynamics in physisorption of CH3Cl on HOPG: surface temperature and molecular orientation dependence

Hashinokuchi, Michihiro, Fukuyama, Tetsuya, Okada, Michio, Kasai, Toshio

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.80 MB

english, 2011

28

Quantum mechanics study and Monte Carlo simulation on the hydrolytic deamination of 5-methylcytosine glycol

Chen, Ze Qin, Zhang, Cheng Hua, Kim, Chan Kyung, Xue, Ying

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.27 MB

english, 2011

29

Changes in the optical properties of benzo[a]pyrene-coated aerosols upon heterogeneous reactions with NO2 and NO3

Lu, Jessica W., Flores, J. Michel, Lavi, Avi, Abo-Riziq, Ali, Rudich, Yinon

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.23 MB

english, 2011

30

Formation and hydrogen release of hydrazine bisborane: transfer vs. attachment of a borane

Nguyen, Vinh Son, Swinnen, Saartje, Leszczynski, Jerzy, Nguyen, Minh Tho

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.03 MB

english, 2011

31

Structural evidence of anomeric effects in the anesthetic isoflurane

Lesarri, Alberto, Vega-Toribio, Alicia, Suenram, Richard D., Brugh, Dale J., Nori-Shargh, Davood, Boggs, James E., Grabow, Jens-Uwe

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.26 MB

english, 2011

32

DRIFTS studies on the photosensitized transformation of gallic acid by iron(iii) chloride as a model for HULIS in atmospheric aerosols

Wentworth, Gregory R., Al-Abadleh, Hind A.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.18 MB

english, 2011

33

Anionic structure-dependent photoelectrochemical responses of dye-sensitized solar cells based on a binary ionic liquid electrolyte

Hao, Feng, Lin, Hong, Liu, Yizhu, Li, Jianbao

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.75 MB

english, 2011

34

Enhanced initial protein adsorption on engineered nanostructured cubic zirconia

Sabirianov, R. F., Rubinstein, A., Namavar, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.31 MB

english, 2011

35

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 780 KB

english, 2011

36

Time-resolved CIDNP: an NMR way to determine the EPR parameters of elusive radicals

Morozova, Olga B., Ivanov, Konstantin L., Kiryutin, Alexey S., Sagdeev, Renad Z., Köchling, Talea, Vieth, Hans-Martin, Yurkovskaya, Alexandra V.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 958 KB

english, 2011

Volume 13; Issue 14

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

The mixed network former effect in glasses: solid state NMR and XPS structural studies of the glass system (Na2O)x(BPO4)1−x

Study of host–guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations

Fabrication of CuInS2 films from electrodeposited Cu/In bilayers: effects of preheat treatment on their structural, photoelectrochemical and solar cell properties

On the hydrogen bond networks in the water–methanol mixtures: topology, percolation and small-world

Thermodynamic characterization of the biocompatible ionic liquid effects on protein model compounds and their functional groups

Quantification of binding affinities of essential sugars with a tryptophan analogue and the ubiquitous role of C–H⋯π interactions

Catalysis by metal–organic frameworks: fundamentals and opportunities

Beta-amyloid oligomerisation monitored by intrinsic tyrosine fluorescence

Structure–property relations in crystalline l-leucine obtained from calorimetry, X-rays, neutron and Raman scattering

The influence of dye structure on charge recombination in dye-sensitized solar cells

Development of a semiempirical potential for simulations of thiol–gold interfaces. Application to thiol-protected gold nanoparticles

Mechanisms and advancement of antifading agents for fluorescence microscopy and single-molecule spectroscopy

Patchy colloids: state of the art and perspectives

Structures and reaction mechanisms of glycerol dehydration over H-ZSM-5 zeolite: a density functional theory study

Effects of surface curvature and surface chemistry on the structure and activity of proteins adsorbed in nanopores

Structure of clean and hydrated α-Al2O3 (11̄02) surfaces: implication on surface charge

Multinuclear solid state NMR investigation of two polymorphic forms of Ciprofloxacin-saccharinate

Unusual decrease in conductivity upon hydration in acceptor doped, microcrystalline ceria

Resonant inelastic X-ray scattering and X-ray absorption spectroscopy on the negative electrode material Li0.5Ni0.25TiOPO4 in a Li-ion battery

Reactive uptake kinetics of NO3 on multicomponent and multiphase organic mixtures containing unsaturated and saturated organics

Photoinduced pH drops in water

Back cover

Entropy-driven rearrangement of the water network at the hydrated amide group of the trans-formanilide–water cluster in the gas phase

Inside front cover

Magnetic and conduction properties in 1D organic radical materials: an ab initio inspection for a challenging quest

Kinetics and dynamics in physisorption of CH3Cl on HOPG: surface temperature and molecular orientation dependence

Quantum mechanics study and Monte Carlo simulation on the hydrolytic deamination of 5-methylcytosine glycol

Changes in the optical properties of benzo[a]pyrene-coated aerosols upon heterogeneous reactions with NO2 and NO3

Formation and hydrogen release of hydrazine bisborane: transfer vs. attachment of a borane

Structural evidence of anomeric effects in the anesthetic isoflurane

DRIFTS studies on the photosensitized transformation of gallic acid by iron(iii) chloride as a model for HULIS in atmospheric aerosols

Anionic structure-dependent photoelectrochemical responses of dye-sensitized solar cells based on a binary ionic liquid electrolyte

Enhanced initial protein adsorption on engineered nanostructured cubic zirconia

Front cover

Contents

Time-resolved CIDNP: an NMR way to determine the EPR parameters of elusive radicals