Volume 1; Issue 17

Physical Chemistry Chemical Physics

Volume 1; Issue 17

1

Predicting the binding energies of H-bonded complexes: A comparative DFT study

Tuma, Christian, Daniel Boese, A., Handy, Nicholas C.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 146 KB

english, 1999

2

Spectroscopic characterization of an MoOx layer on the surface of silica. An evaluation of the molecular designed dispersion method

Collart, O., Van Der Voort, P., Vansant, E. F., Gustin, E., Bouwen, A., Schoemaker, D., Ramachandra Rao, R., Weckhuysen, B. M., Schoonheydt, R. A.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 156 KB

english, 1999

3

Estimation of mean size and shape of small metal particles by EXAFS

Jentys, Andreas

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 211 KB

english, 1999

4

The photoexcited triplet state of free-base porphycene: a time-resolved EPR and electron spin echo investigation

Kay, Christopher W. M., Elger, Gordon, Möbius, Klaus

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

5

Photoinduced charge separation of methylphenothiazine in microporous titanosilicate M-ETS-10 (M=Na++K+, H+, Li+, Na+, K+, Ni2+, Cu2+, Co2+) and Na+, K+-ETS-4 molecular sieves at room temperature

Krishna, R. M., Prakash, A. M., Kurshev, Vadim, Kevan, Larry

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 212 KB

english, 1999

6

Artificial neural networks for the prediction of liquid viscosity, density, heat of vaporization, boiling point and Pitzer's acentric factor Part I. Hydrocarbons

Homer, John, Generalis, Sotos C., Robson, John H.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 118 KB

english, 1999

7

Accurate ab initio prediction of the rovibrational energy levels and equilibrium geometry of carbonyl selenide (OCSe)

Puzzarini, C., de Lara-Castells, M. P., Tarroni, R., Palmieri, P., Domaison, J.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 106 KB

english, 1999

8

Adsorption of carbon dioxide on Cu(110) and on hydrogen and oxygen covered Cu(110) surfaces

Ernst, K.-H., Schlatterbeck, D., Christmann, K.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 224 KB

english, 1999

9

On the STM imaging contrast of graphite: towards a “true’' atomic resolution

Atamny, F., Spillecke, O., Schlögl, R.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 408 KB

english, 1999

10

Adsorption of polyampholyte copolymers at the solid/liquid interface: the influence of pH and salt on the adsorption behaviour

Mahltig, Boris, Walter, Harald, Harrats, Charef, Müller-Buschbaum, Peter, Je´rôme, Robert, Stamm, Manfred

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 136 KB

english, 1999

11

Three-dimensional cross correlation technique: influence of multiply scattered light in the Rayleigh–Gans regime

Aberle, L. B., Staude, W., Hennemann, O.-D.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 127 KB

english, 1999

12

Nucleation and growth of zeolite A under reagent controlled conditions. Part II

Singh, Puyam S., White, John W.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 364 KB

english, 1999

13

A theoretical investigation of OH formation in the gas-phase ozonolysis of E-but-2-ene and Z-but-2-ene

Rathman, Will C. D., Claxton, Tom A., Rickard, Andrew R., Marston, George

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 150 KB

english, 1999

14

Dye sensitization of synthetic p-type diamond electrode

Nakabayashi, Seiichiro, Ohta, Narumi, Fujishima, Akira

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 149 KB

english, 1999

15

An “electrons-in-molecule’' model for atom–atom representation of atom–molecule potentials, with application to the Ar–B2(X3Σg-) complex

Naumkin, Fedor Y.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 164 KB

english, 1999

16

Shear induced structures in lamellar phases of amphiphilic block copolymers

Zipfel, Johannes, Berghausen, Jörg, Schmidt, Gudrun, Lindner, Peter, Alexandridis, Paschalis, Tsianou, Marina, Richtering, Walter

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 432 KB

english, 1999

17

Intermolecular distance measurements in supramolecular solids: 13C–19F REDOR NMR spectroscopy of p-tert-butylcalix[4]arene–fluorobenzene

Brouwer, Eric B., Gougeon, Regis D. M., Hirschinger, Je´rôme, Udachin, Kostantin A., Harris, Robin K., Ripmeester, John A.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 230 KB

english, 1999

18

Non-ideality of the system NH3–H2–N2. Comparison of equation of state and simulation predictions with experimental data

de Souza, Luís E. S., Deiters, Ulrich K.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

19

A new method for the simultaneous determination of surface tension and density of polymer melts

Wulf, M., Michel, S., Jenschke, W., Uhlmann, P., Grundke, K.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 186 KB

english, 1999

20

Dynamics and spin relaxation of tempone in a host crystal. An ENDOR, high field EPR and electron spin echo study

Barbon, Antonio, Brustolon, Marina, Lisa Maniero, Anna, Romanelli, Maurizio, Brunel, Louis-Claude

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 183 KB

english, 1999

21

Film formation of heterogeneous latex systems—a comparative study by mechanical testing, electron microscopy, interferometry and solid state NMR

DuChesne, Alexander, Bojkova, Albena, Rottstegge, Jörg, Glasser, Gunnar, Neher, Dieter, Krieger, Stefan

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 311 KB

english, 1999

22

EPR, ENDOR, TRIPLE resonance spectroscopy and MO studies on radical anion, neutral radical and radical cation of vitamin K3 in a selection of solvents

Joela, Heikki, Lehtovuori, Pekka

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 175 KB

english, 1999

23

Cation–carbon stretching vibration of adducts formed upon CO adsorption on alkaline zeolites

Otero Areán, C., Turnes Palomino, G., Zecchina, A., Spoto, G., Bordiga, S., Roy, P.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 100 KB

english, 1999

24

On the structure of the monohydrated superoxide molecular anion, O2-·(H2O). An ab initio molecular orbital study

Robinson, Ella M. C., Holstein, Wendy L., Stewart, Gerarda M., Buntine, Mark A.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 125 KB

english, 1999

25

Density functional studies on HO+BrO and HO2+Br reactions

Sumathi, Raman, D. Peyerimhoff, S.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 164 KB

english, 1999

26

Coherent D2 rotational tunneling and incoherent D2 dynamics in a solid non-classical RuD2 complex studied by 2H solid state NMR spectroscopy

Wehrmann, Frank, Fong, Tina P., Morris, Robert H., Limbach, Hans-Heinrich, Buntkowsky, Gerd

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 210 KB

english, 1999

27

Molecular dynamics simulations of the incrustation inhibition by polymeric additives

Hädicke, Erich, Rieger, Jens, Ursula Rau, Iris, Boeckh, Dieter

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 2.22 MB

english, 1999

28

Determination of the complex shear modulus of polymer solutions with piezoelectric resonators

Bund, A., Chmiel, H., Schwitzgebel, G.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 216 KB

english, 1999

29

Unimolecular isomerization/decomposition of ortho-benzyne: ab initio MO/statistical theory study

Moskaleva, L. V., Madden, L. K., Lin, M. C.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 198 KB

english, 1999

30

Analysis of complex polymers by multidimensional techniques. Invited Lecture

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 419 KB

english, 1999

31

Mechanical detection of NMR. Advantages of a digital approach

Verhagen, Rieko, Hilbers, Cees W., Kentgens, Arno P. M., Lenci, Lorenzo, Groeneveld, Rogier, Wittli, Aleksander, van Kempen, Herman

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 195 KB

english, 1999

32

Dewetting of confined polymer films: an X-ray and neutron scattering study

Müller-Buschbaum, P., Gutmann, J. S., Stamm, M.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 264 KB

english, 1999

33

EPR investigations on europium(II)-doped barium aluminate

Nakamura, T., Kaiya, K., Takahashi, N., Matsuzawa, T., Rowlands, C. C., Beltrán-López, V., Smith, G. M., Riedi, P. C.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 233 KB

english, 1999

34

Application of a new light scattering technique to avoid the influence of dilution in light scattering experiments with milk

Urban, Claus, Schurtenberger, Peter

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 174 KB

english, 1999

35

Spectroscopic studies of vanadyl–calcite–water–oxygen systems and characterization of oxo-vanadium species deposited on CaCO3

Boughriet, A., Mouchel, B., Revel, B., Gengembre, L., Laureyns, J.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 222 KB

english, 1999

36

Studies of post-production ageing effects in atomised aluminium powder

Holliman, Peter J., Hughes, David D.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 384 KB

english, 1999

37

Self-diffusion investigations on a series of PEP-PDMS diblock copolymers with different morphologies by pulsed field gradient NMR

Rittig, Frank, Kärger, Jörg, Papadakis, Christine M., Fleischer, Gerald, Śtěpánek, Petr, Almdal, Kristoffer

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 215 KB

english, 1999

38

Characterization of the interfacial properties of modified polypropylene

Frank, Jochen, Simon, Frank, Schmitt, Franz-Josef

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 154 KB

english, 1999

39

Is overlap repulsion between C–H bonds responsible for differences in enthalpies of formation among isomers in alkanes, alkenes and simple derivatives? An empirical inquiry

W. Smith, Derek

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 96 KB

english, 1999

40

Photoinduced charge recombination reactions of a perylene dye in acetonitrile

Kircher, T., Löhmannsröben, H.-G.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 137 KB

english, 1999

41

Light and X-ray scattering from the early growth stages of zeolite. A Part I

Singh, Puyam S., Dowling, Trevor L., Watson, Jonathan N., White, John W.

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 311 KB

english, 1999

42

Monte Carlo simulations of nanoconfined n-decane films

Porcheron, Fabien, Rousseau, Bernard, H. Fuchs, Alain, Schoen, Martin

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 180 KB

english, 1999