Physical Chemistry Chemical Physics

1

Tuning the shape of nanoparticles to control their catalytic properties: selective hydrogenation of 1,3-butadiene on Pd/Al2O3

Piccolo, Laurent, Valcarcel, Ana, Bausach, Marta, Thomazeau, Cécile, Uzio, Denis, Berhault, Gilles

Journal:

Year:

2008

Language:

english

File:

PDF, 190 KB

english, 2008

2

Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations

Pirani, Fernando, Brizi, Simona, Roncaratti, Luiz F., Casavecchia, Piergiorgio, Cappelletti, David, Vecchiocattivi, Franco

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 632 KB

english, 2008

3

Synthesis, characterization and computational study of nitrogen-doped CeO2 nanoparticles with visible-light activity

Mao, Changjie, Zhao, Yixin, Qiu, Xiaofeng, Zhu, Junjie, Burda, Clemens

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 308 KB

english, 2008

4

Effects of natural convection on thermal explosion in a closed vessel

Liu, Ting-Yueh, Campbell, Alasdair N., Cardoso, Silvana S. S., Hayhurst, Allan N.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 277 KB

english, 2008

5

Theoretical exploration of the cooperative effect in NMF–NMF–amino acid residue hydrogen bonding system

Li, Xichen, Liu, Wenlan, Sun, Kening, Wang, Yan, Tan, Hongwei, Chen, Guangju

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 169 KB

english, 2008

6

Pure component spectral analysis of surface adsorbed species measured under real conditions. BTEM-DRIFTS study of CO and NO reaction over a Pd/γ-Al2O3 catalyst

Chilukoti, Srilakshmi, Gao, Feng, Anderson, Bruce G., Niemantsverdriet, J. W. Hans, Garland, Marc

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 275 KB

english, 2008

7

Synthesis and infrared characterization of Br–HBr and Br–DBr entrance channel complexes in solid parahydrogen

Kettwich, Sharon C., Pinelo, Laura F., Anderson, David T.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 671 KB

english, 2008

8

Quasi-classical trajectory study of the adiabatic reactions occurring on the two lowest-lying electronic states of the LiH2+ system

Pino, Ilaria, Martinazzo, Rocco, Tantardini, Gian Franco

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 319 KB

english, 2008

9

Back cover

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 681 KB

english, 2008

10

Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization

Wong, Bryan M.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 319 KB

english, 2008

11

A theoretical study of medium effects on the structure of the glycine analogue aminomethylphosphonic acid

Benbrahim, Nasséra, Rahmouni, Ali, Ruiz-López, Manuel F.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 319 KB

english, 2008

12

Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium–triphosphine complex

Bernard, Guy M., Feindel, Kirk W., Wasylishen, Roderick E., Cameron, T. Stanley

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 375 KB

english, 2008

13

Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2

Schaniel, Dominik, Woike, Theo, Delley, Bernard, Boskovic, Colette, Güdel, Hans-Ueli

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 271 KB

english, 2008

14

Controlling ZnO morphology for improved methanol steam reforming reactivity

Karim, Ayman M., Conant, Travis, Datye, Abhaya K.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 277 KB

english, 2008

15

Site-selectivity of protonation in gaseous toluene

Chiavarino, Barbara, Crestoni, Maria Elisa, Di Rienzo, Barbara, Fornarini, Simonetta, Lanucara, Francesco

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 164 KB

english, 2008

17

Origin of repulsive force and structure/dynamics of interfacial water in OEG–protein interactions: a molecular simulation study

He, Yi, Chang, Yung, Hower, Jason C., Zheng, Jie, Chen, Shengfu, Jiang, Shaoyi

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 298 KB

english, 2008

18

N-Dependence problem of local hardness parameter

Saha, Soumen, Kinkar Roy, Ram

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 176 KB

english, 2008

19

Front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 267 KB

english, 2008

20

Inside front cover

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 497 KB

english, 2008

21

Effects of relative humidity and CO(g) on the O3-initiated oxidation reaction of Hg0(g): kinetic & product studies

Snider, Graydon, Raofie, Farhad, Ariya, Parisa A.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 272 KB

english, 2008

22

Characterization of nanoparticles in diluted clear solutions for Silicalite-1 zeolite synthesis using liquid 29Si NMR, SAXS and DLS

Follens, L. R. A., Aerts, A., Haouas, M., Caremans, T. P., Loppinet, B., Goderis, B., Vermant, J., Taulelle, F., Martens, J. A., Kirschhock, C. E. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 232 KB

english, 2008

Volume 10; Issue 36

Tuning the shape of nanoparticles to control their catalytic properties: selective hydrogenation of 1,3-butadiene on Pd/Al2O3

Beyond the Lennard-Jones model: a simple and accurate potential function probed by high resolution scattering data useful for molecular dynamics simulations

Synthesis, characterization and computational study of nitrogen-doped CeO2 nanoparticles with visible-light activity

Effects of natural convection on thermal explosion in a closed vessel

Theoretical exploration of the cooperative effect in NMF–NMF–amino acid residue hydrogen bonding system

Pure component spectral analysis of surface adsorbed species measured under real conditions. BTEM-DRIFTS study of CO and NO reaction over a Pd/γ-Al2O3 catalyst

Synthesis and infrared characterization of Br–HBr and Br–DBr entrance channel complexes in solid parahydrogen

Quasi-classical trajectory study of the adiabatic reactions occurring on the two lowest-lying electronic states of the LiH2+ system

Back cover

Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization

A theoretical study of medium effects on the structure of the glycine analogue aminomethylphosphonic acid

Solid-state phosphorus-31 NMR spectroscopy of a multiple-spin system: an investigation of a rhodium–triphosphine complex

Photogeneration of metastable side-on N2 linkage isomers in [Ru(NH3)5N2]Cl2, [Ru(NH3)5N2]Br2 and [Os(NH3)5N2]Cl2

Controlling ZnO morphology for improved methanol steam reforming reactivity

Contents

Site-selectivity of protonation in gaseous toluene

Origin of repulsive force and structure/dynamics of interfacial water in OEG–protein interactions: a molecular simulation study

N-Dependence problem of local hardness parameter

Front cover

Inside front cover

Effects of relative humidity and CO(g) on the O3-initiated oxidation reaction of Hg0(g): kinetic & product studies

Characterization of nanoparticles in diluted clear solutions for Silicalite-1 zeolite synthesis using liquid 29Si NMR, SAXS and DLS