Volume 4; Issue 13

Physical Chemistry Chemical Physics

Volume 4; Issue 13

1

Dealumination of zeolite beta by acid leaching: a new insight with two-dimensional multi-quantum and cross polarization 27Al MAS NMR

Roberge, Dominique M., Hausmann, Heike, Hölderich, Wolfgang F.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 496 KB

english, 2002

2

Quantum-dressed classical mechanics: Theory and application

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 301 KB

english, 2002

3

Dissipative particle dynamics simulation of grafted polymer brushes under shear

Irfachsyad, Danial, Tildesley, Dominic, Malfreyt, Patrice

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 216 KB

english, 2002

4

Aggregation of thiacyanine derivatives on polyelectrolytes

Peyratout, Claire, Daehne, Lars

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 292 KB

english, 2002

5

Hückel spectra of Möbius π systems

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 201 KB

english, 2002

6

Surface features and catalytic activity of sulfated zirconia catalysts from hydrothermal precursors

Morterra, C., Cerrato, G., Ardizzone, S., Bianchi, C. L., Signoretto, M., Pinna, F.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 201 KB

english, 2002

7

Pressure and temperature dependence of the rate constants for the association reactions of vinoxy and 1-methylvinoxy radicals with nitric oxideElectronic supplementary information (ESI) available: Experimental conditions and results for reactions (R1) and (R2). G2 molecular properties of the key structures for CH2CHO + NO and CH2C(CH3)O + NO reaction kinetics. See http://www.rsc.org/suppdata/cp/b1/b110100e/

Delbos, Eric, Devolder, Pascal, ElMaimouni, Lahcen, Fittschen, Christa, Brudnik, Katarzyna, Jodkowski, Jerzy T., Ratajczak, Emil

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 237 KB

english, 2002

8

Adsorption of linear ethane molecules in single walled carbon nanotube arrays by molecular simulation

Zhang, Xianren, Wang, Wenchuan

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 474 KB

english, 2002

9

Photoisomerization mechanisms and photoselectivity of the stereoisomers of 1-(pyrid-n-yl),4-phenylbuta-1,3-diene

Bartocci, G., Galiazzo, G., Latterini, L., Marri, E., Mazzucato, U., Spalletti, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 176 KB

english, 2002

10

Laser-based studies of NO3 radical reactions with selected aromatic compounds in aqueous solution

Umschlag, Th., Zellner, R., Herrmann, H.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 180 KB

english, 2002

11

EPR studies of free radical reactions of C60 embedded in mesoporous MCM-41 materials in aqueous solution

Lee, Chia-Hung, Lin, Tien-Sung, Mou, Chung-Yuan

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 176 KB

english, 2002

12

Protonation of fluorophenols and fluoroanisoles in the gas phase: experiment and theory

Bogdanov, Bogdan, van Duijn, Dennis, Ingemann, Steen, Hammerum, Steen

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 139 KB

english, 2002

13

Atomic and molecular hydrogen elimination in the crossed beam reaction of d1-ethinyl radicals C2D(X 2Σ+) with acetylene, C2H2(X 1Σg+): Dynamics of d1-diacetylene (HCCCCD) and d1-butadiynyl (DCCCC) formationPresented at the XIX International Symposium on Molecular Beams, Rome, 3–8 June, 2001.

Kaiser, R. I., Stahl, F., Schleyer, P. v. R., Schaefer III, H. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 392 KB

english, 2002

14

FTIR measurements and quantum chemical calculations of ethylene adsorbed on CuNaY

Hübner, Georg, Rauhut, Guntram, Stoll, Hermann, Roduner, Emil

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 379 KB

english, 2002

15

Resolving complex mixtures by means of pulsed gradient spin-echo NMR experiments

Ambrosone, Luigi, Ceglie, Andrea, Colafemmina, Giuseppe, Palazzo, Gerardo

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 230 KB

english, 2002

16

Immobilisation of rhodium acetonitrile complexes in ordered mesoporous silica

Pillinger, Martyn, Nunes, Carla D., Vaz, Pedro D., Valente, Anabela A., Gonçalves, Isabel S., Ribeiro-Claro, Paulo J. A., Rocha, João, Carlos, Luís D., Kühn, Fritz E.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 502 KB

english, 2002

17

Exciton interactions in self-organised bacteriochlorophyll a - aggregates

Linnanto, J., Oksanen, J. A. I., Korppi-Tommola, J. E. I.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 453 KB

english, 2002

18

H-atom abstraction from thiols by C-centered radicals. A theoretical and experimental study of reaction rates

Reid, Darren L., Shustov, Gennady V., Armstrong, David A., Rauk, Arvi, Schuchmann, Man Nien, Akhlaq, M. Shahid, von Sonntag, Clemens

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 325 KB

english, 2002

19

Reply to the ‘Comment on “Theoretical analysis of the oxocarbons: structure and spectroscopic properties of croconate ion and its coordination compound with lithium”’, by M. C. C. Ribeiro and A. O. Cavalcante, Phys. Chem. Chem. Phys., 2002, 4, 2917

Junqueira, Georgia M. A., Rocha, Willian R., De Almeida, Wagner B., Dos Santos, Hélio F.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 86 KB

english, 2002

20

Surface reactivity of prereduced rare earth oxides with nitric oxide: New approach for NO decomposition

Haneda, Masaaki, Kintaichi, Yoshiaki, Hamada, Hideaki

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 164 KB

english, 2002

21

The structures of micelles of alkytrimethylammonium perfluorocarboxylates and of their adsorbed layers at the air/water interface

Jackson, A. J., Li, Z. X., Thomas, R. K., Penfold, J.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 233 KB

english, 2002

22

Effect of heterogeneity in the distribution of ligands and proteins among disconnected particles: the binding of ubiquinone to the bacterial reaction center

Ambrosone, Luigi, Mallardi, Antonia, Palazzo, Gerardo, Venturoli, Giovanni

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 221 KB

english, 2002

23

Interplay between crystal structure and magnetic susceptibility of tetragonal ROBr

Hölsä, Jorma, Lastusaari, Mika, Niittykoski, Janne, Sàez Puche, Regino

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 250 KB

english, 2002

24

Determining the electronic structure and chemical potentials of molecules in solution

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

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 170 KB

english, 2002

25

A reaction path–Liouville approach to the rate constant for polyatomic chemical reactions

González, Javier, Giménez, Xavier, Maria Bofill, Josep

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 150 KB

english, 2002

26

Proton exchange in solutions of water in nitromethane and dioxane

Sergeyev, Nickolai M., Sergeyeva, Natalia D.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 125 KB

english, 2002

27

Comment on “Theoretical analysis of the oxocarbons: structure and spectroscopic properties of croconate ion and its coordination compound with lithium” by G. M. A. Junqueira, W. R. Rocha, W. B. De Almeida and H. F. Dos Santos, Phys. Chem. Chem. Phys., 2001, 3, 3499

Ribeiro, Mauro C. C., Cavalcante, Ary O.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

28

Direct ab initio dynamics calculations of the reaction rates for the hydrogen abstraction reaction Cl + HC(O)F → HCl + CFO

Wu, Jia-yan, Liu, Jing-yao, Li, Ze-sheng, Huang, Xu-ri, Sun, Chia-chung

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 109 KB

english, 2002

29

Photoionization of β-carotene via electron transfer from excited states to chlorinated hydrocarbon solvents. A picosecond transient absorption study

Gurzadyan, Gagik G., Steenken, Steen

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 268 KB

english, 2002

30

Anomalous luminescence of a bicapped [60]fullerene–γ-cyclodextrin complex at an oxide-covered aluminium cathode

Ala-Kleme, T., Mäki, R., Haapakka, K.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 246 KB

english, 2002

31

The electronic spectrum of linear and cyclic C6+. A theoretical study

Haubrich, Jan, Mühlhäuser, Max, Peyerimhoff, Sigrid D.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 267 KB

english, 2002

32

Unexpected correlation between electronic coupling and excited state redox properties in PET

Dossot, M., Allonas, X., Jacques, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 116 KB

english, 2002

33

The second virial coefficient of the dipolar two center Lennard-Jones modelElectronic supplementary information (ESI) available: computer programs and ancillary data. See http://www.rsc.org/suppdata/cp/b2/b200781a/

Vega, Carlos, McBride, Carl, Menduiña, Carlos

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 154 KB

english, 2002

34

Thermal decomposition of a hydrotalcite-containing Cu–Zn–Al precursor: thermal methods combined with an in situ DRIFT study

Melián-Cabrera, I., López Granados, M., Fierro, J. L. G.

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 252 KB

english, 2002

35

Hydration of a cationic amide group: a ZEKE spectroscopic study of trans-formanilide–H2OElectronic supplementary information (ESI) available: Ab initio CASSCF/cc-pVDZ geometry parameters of t-FA–H2ONH in the S0, S1 and D0 states (Table S1), CASSCF/cc-pVDZ charges of t-FA–H2ONH in the S0, S1 and D0 states (Table S2), CASSCF/cc-pVDZ harmonic frequencies for the S0, S1 and D0 of t-FA–H2ONH up to 1000 cm–1 (Table S3). See http://www.rsc.org/suppdata/cp/b2/b200125j/

Ullrich, Susanne, Tong, Xin, Tarczay, György, Dessent, Caroline E. H., Müller-Dethlefs, Klaus

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 305 KB

english, 2002

36

A coupled cluster response study of the electric dipole polarizability, first and second hyperpolarizabilities of HCl

Rizzo, Antonio, Coriani, Sonia, Fernández, Berta, Christiansen, Ove

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 170 KB

english, 2002

37

Competitive channels in the photodissociation of thionyl chloride

Roth, Melanie, Maul, Christof, Gericke, Karl-Heinz

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 234 KB

english, 2002

38

Reaction of OH + NO2 + M: Kinetic evidence of isomer formation

Hippler, Horst, Nasterlack, Steffen, Striebel, Frank

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 126 KB

english, 2002

39

Al–Si ordering in the framework of leucite and Cs-exchanged leuciteElectronic supplementary information (ESI) available: Fig. S1 and S2 – twin boundary between phases I and II in leucite of P1121/a symmetry. See http://www.rsc.org/suppdata/cp/b1/b111447f/

Takaishi, Tetsuo, Yamazaki, Satoshi, Yamazaki, Atsushi

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 309 KB

english, 2002

40

LaAl1–xCrxO3 perovskite-type solid solutions: Structural, electronic, magnetic properties and catalytic activity towards CO oxidation

Cordischi, Dante, De Rossi, Sergio, Faticanti, Marco, Minelli, Giuliano, Porta, Piero

Journal:

Physical Chemistry Chemical Physics

Year:

2002

Language:

english

File:

PDF, 181 KB

english, 2002

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