Volume 4; Issue 21

Physical Chemistry Chemical Physics

Volume 4; Issue 21

1

In situ studies of boron nitride crystallization from BN solutions in supercritical N???H fluid at high pressures and temperatures

Solozhenko, Vladimir L., Le Godec, Yann, Klotz, Stefan, Mezouar, Mohamed, Turkevich, Vladimir Z., Besson, Jean-Michel

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 513 KB

english, 2002

2

Co2+ ions as probes of Al distribution in the framework of zeolites. ZSM-5 study

D??de??ek, Ji????, Kauck??, Dalibor, Wichterlov??, Blanka, Gonsiorov??, Olga

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 217 KB

english, 2002

3

The interaction of the most stable guanine tautomers with water. The structure and properties of monohydratesElectronic supplementary information (ESI) available: Geometries of a guanine moiety in isolated molecules and monohydrates of the Gua9, Gua7 and Gua9* tautomers (Tables S1, S2 and S3). See http://www.rsc.org/suppdata/cp/b2/b205351a/

Shishkin, Oleg V., Sukhanov, Oleg S., Gorb, Leonid, Leszczynski, Jerzy

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 133 KB

english, 2002

4

On the nature of iron species in iron substituted aluminophosphates

Zenonos, Christianna, Sankar, Gopinathan, Cor??, Furio, Lewis, Dewi W., Pankhurst, Quentin A., Catlow, C. Richard A., Thomas, John Meurig

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 716 KB

english, 2002

5

Structure and thermochemistry of Fe2S2???/0/+ gas phase clusters and their fragments. B3LYP calculations

H??bner, Olaf, Sauer, Joachim

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 279 KB

english, 2002

6

Selectivity and enormous H/D isotope effects on H atom abstraction by CH3 radicals in solid methylsilane at 3.0 K???115 K

Komaguchi, Kenji, Ishiguri, Yuko, Tachikawa, Hiroto, Shiotani, Masaru

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 155 KB

english, 2002

7

Interaction of methanol, acetone and formaldehyde with ice surfaces between 198 and 223 K

Winkler, A. K., Holmes, N. S., Crowley, J. N.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 165 KB

english, 2002

8

A study investigating the sonoelectrochemical degradation of an organic compound employing Fenton's reagent

Abdelsalam, Mamdouh E., Birkin, Peter R.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 215 KB

english, 2002

9

DFT studies on the pairing abilities of the one-electron reduced or oxidized adenine???thymine base pairElectronic supplementary information (ESI) available: Single-point energies and zero-point energies of adenine, 2-aminopurine, pyrimidine and base-pair systems (including BSSE). See http://www.rsc.org/suppdata/cp/b2/b206342e/

Reynisson, J??hannes, Steenken, Steen

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 175 KB

english, 2002

10

Temperature gradients and frictional energy dissipation in the sliding of hydroxylated ??-alumina surfaces

Xie, Hongwei, Song, Kihyung, Mann, David J., Hase, William L.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 994 KB

english, 2002

11

Intervalence charge transfer in mixed valence neodymium iodide melts: Electronic conductivity and optical absorption spectra

Zein El Abedin, S., Terakado, O., Endres, F., Nattland, D., Freyland, W.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 197 KB

english, 2002

12

Tricriticality in the ternary system 3-methylpyridine/water/NaBr? Measurements of the viscosity

Wagner, Monika, Stanga, Olimpiu, Schr??er, Wolffram

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 175 KB

english, 2002

13

An incoherent inelastic neutron scattering investigation of the vibrational spectrum of phenyl-modified (C6H5???) mesoporous silica and its variations in the presence of sorbed benzene (C6H6) and of sorbed deuteriobenzene (C6D6)

Slade, Robert C. T., Bambrough, Claire M., Williams, Ruth T.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 173 KB

english, 2002

14

A computational study of arene coordination to singly- and doubly-charged iron atoms

Kaczorowska, Malgorzata, Harvey, Jeremy N.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

15

Temperature-compensation in pH-oscillators

Kov??cs, Kl??ra M., R??bai, Gyula

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 277 KB

english, 2002

16

Calculation of first-order one-electron properties using the coupled-cluster approximate triples model CC3

Hald, Kasper, J??rgensen, Poul

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 127 KB

english, 2002

17

Inverse gas chromatography study of the thermodynamic behaviour of thermotropic low molar mass and polymeric liquid crystalsElectronic supplementary information (ESI) available: Partial molar enthalpies, excess enthalpies, entropies and excess entropies for hydrocarbon probes in liquid crystals. See http://www.rsc.org/suppdata/cp/b2/b202173k/

Price, Gareth J., Shillcock, Ian M.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 243 KB

english, 2002

18

A density functional study of the adsorption of CO on Rh(111)

Curulla, D., Linke, R., Clotet, A., Ricart, J. M., Niemantsverdriet, J. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 203 KB

english, 2002

19

Selective hydrogenation of acetonitrile to ethylamine using palladium-based alloy catalysts

Iwasa, Nobuhiro, Yoshikawa, Masayoshi, Arai, Masahiko

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 272 KB

english, 2002

20

Wideband (from 0 to 1000 cm???1) dielectric/FIR spectra of ordinary and heavy water: calculation in terms of the composite hat curved???harmonic oscillator model

Gaiduk, V. I., Vij, J. K.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 406 KB

english, 2002

21

DNA-base radicals. Their base pairing abilities as calculated by DFTElectronic supplementary information (ESI) available: Single-point energies, zero-point energies and BSSE corrections for guanine, 7,8-dihydro-8-oxoguanine, their radicals and base pairs. See http://www.rsc.org/suppdata/cp/b2/b204842f/

Reynisson, J??hannes, Steenken, Steen

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 196 KB

english, 2002

22

Mixed micellar aggregates of cationic and nonionic surfactants with short hydrophobic tails. An intradiffusion studyElectronic supplementary information (ESI) available: Micelle intradifusion data. See http://www.rsc.org/suppdata/cp/b2/b202731c/

D'Errico, Gerardino, Ortona, Ornella, Paduano, Luigi, Tedeschi, Annamaria, Vitagliano, Vincenzo

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 189 KB

english, 2002

23

Solvation effects on equilibria: Triazoles and N-methyl piperidinol

Murdock, Stuart E., Lynden-Bell, R. M., Kohanoff, J., Margulis, C. J., Sexton, Graham J.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 581 KB

english, 2002

24

On the modulation of the substrate activity for the racemization catalyzed by mandelate racemase enzyme. A QM/MM studyElectronic supplementary information (ESI) available: Geometries and energies of the stationary points found for all three mechanisms. See http://www.rsc.org/suppdata/cp/b2/b204693h/

Prat-Resina, Xavier, Garcia-Viloca, Mireia, Gonz??lez-Lafont, Angels, Lluch, Jos?? M.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 304 KB

english, 2002

25

Eley???Rideal diffusion limited reactions over rough surface

Chaudhari, Ajay, Sanders Yan, Ching-Cher, Lee, Shyi-Long

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 173 KB

english, 2002

26

Synthesis and characterization of graphite nanofibers deposited on nickel foams

Huang, Wanzhen, Zhang, Xiao-Bin, Tu, Jiangping, Kong, Fanzhi, Ning, Yuesheng, Xu, Junming, Tendeloo, G. Van

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 836 KB

english, 2002

27

Magnetic field effects in the recombination fluorescence of a three-spin radical ion/biradical ion system

Lukzen, N. N., Usov, O. M., Molin, Yu. N.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 278 KB

english, 2002

28

Conformational analysis by laser spectroscopy in the gas phase: p-methoxyphenethylamine (a neurotransmitter)

Yi, John T., Robertson, Evan G., Pratt, David W.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 225 KB

english, 2002

29

Multi-photon UV photolysis of naphthalene???gas mixtures: A new oscillatory system

Ruth, Albert A., Gash, Edward W., Staak, Michael, Fiedler, Sven E.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 143 KB

english, 2002

30

Shock tube study of the reaction of H atoms with SnCl4

Herzler, J??rgen, Roth, Paul

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 157 KB

english, 2002

31

Surface structure and acid???base properties of lanthanum oxide dispersed on silica and alumina catalysts

Mekhemer, Gamal A. H.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 221 KB

english, 2002