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Volume 102; Issue 14

The Journal of Chemical Physics

Volume 102; Issue 14

1

Reactive scattering using the multiconfiguration time-dependent Hartree approximation: General aspects and application to the collinear H+H2→H2+H reaction

Jäckle, A., Meyer, H.-D.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 603 KB

english, 1995

2

Near-edge core photoabsorption in polyenes

Carravetta, Vincenzo, Ågren, Hans, Pettersson, Lars G. M., Vahtras, Olav

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 528 KB

english, 1995

3

Criticality of charged systems. II. The binary mixture of hard spheres and ions

Zhou, Yaoqi, Stell, George

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 385 KB

english, 1995

4

Transport properties of polymer melts from nonequilibrium molecular dynamics

Xu, Z., de Pablo, Juan J., Kim, S.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 458 KB

english, 1995

5

Interference control without laser coherence: Molecular photodissociation

Chen, Zhidang, Shapiro, Moshe, Brumer, Paul

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 645 KB

english, 1995

6

A density functional theory study of the alkali metal atom–carbon monoxide interactions: Singularity of the Li atom

Pullumbi, P., Bouteiller, Y., Perchard, J. P.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 371 KB

english, 1995

7

On the scattering of low-energy electrons by sulphur hexafluoride

Gianturco, F. A., Lucchese, R. R., Sanna, N.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 442 KB

english, 1995

8

Excited-state reaction pathways for s-cis buta-1,3-diene

Celani, Paolo, Bernardi, Fernando, Olivucci, Massimo, Robb, Michael A.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 564 KB

english, 1995

9

Time-dependent discrete variable representations for quantum wave packet propagation

Sim, Eunji, Makri, Nancy

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 470 KB

english, 1995

10

Classical trajectory studies of the reaction CH4+H→CH3+H2

Jordan, Meredith J. T., Gilbert, Robert G.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 637 KB

english, 1995

11

Unimolecular dynamics of Cl−...CH3Cl intermolecular complexes formed by Cl−+CH3Cl association

Peslherbe, Gilles H., Wang, Haobin, Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 532 KB

english, 1995

12

A laser-induced fluorescence study of OH desorption from Pt(111) during oxidation of hydrogen in O2 and decomposition of water

Fridell, Erik, Elg, Alf-Peter, Rosén, Arne, Kasemo, Bengt

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 507 KB

english, 1995

13

Incorporating backflow into a relaxation theory treatment of the dynamics of nonequilibrium nonadiabatic transition processes

Evans, Deborah G., Coalson, Rob D.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 523 KB

english, 1995

14

Coherent phase control of the photoionization of H2S

Kleiman, Valeria D., Zhu, Langchi, Li, Xiaonong, Gordon, Robert J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 369 KB

english, 1995

15

An electron spin echo envelope modulation study of the primary acceptor quinone in Zn-substituted plant photosystem II

Astashkin, Andrei V., Kawamori, Asako, Kodera, Yoshio, Kuroiwa, Shigeki, Akabori, Kozo

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 411 KB

english, 1995

16

Field-theoretical approach to critical microphase behavior of symmetric crosslinked polymer blends

Benhamou, Mabrouk

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 505 KB

english, 1995

17

Sticky spheres in adhesive pores

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 421 KB

english, 1995

18

Theoretical investigations of proton transfer reactions in a hydrogen bonded complex of cytosine with water

Sobolewski, Andrzej L., Adamowicz, Ludwik

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 458 KB

english, 1995

19

Quantum mechanical study of the unimolecular dissociation of HO2: A rigorous test of RRKM theory

Dobbyn, Abigail J., Stumpf, Michael, Keller, Hans-Martin, Hase, William L., Schinke, Reinhard

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 350 KB

english, 1995

20

Sampling of semiclassically quantized polyatomic molecule vibrations by an adiabatic switching method: Application to quasiclassical trajectory calculations

Huang, Jingrong, Valentini, James J., Muckerman, James T.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 601 KB

english, 1995

21

Optimized atomic Lennard-Jones 6–12 parameters for simulating pVT properties of a realistic polymethylene melt

Widmann, Albert H., Laso, Manuel, Suter, Ulrich W.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 496 KB

english, 1995

22

Gas–liquid nucleation of nonideal binary mixtures. I. A density functional study

Laaksonen, Ari, Oxtoby, David W.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 434 KB

english, 1995

23

Criticality of charged systems. I. The restricted primitive model

Zhou, Yaoqi, Yeh, Showguei, Stell, George

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 502 KB

english, 1995

24

Microrheological modeling of weakly aggregated dispersions

Potanin, A. A., De Rooij, R., Van den Ende, D., Mellema, J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 538 KB

english, 1995

25

Prediction of gaseous diffusion coefficients from thermal diffusion measurements and other experimental data

Dunlop, Peter J., Bignell, C. M.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 356 KB

english, 1995

26

The vibrational structure of H+4 and D+4

Ramón Álvarez-Collado, Jose, Aguado, Alfredo, Paniagua, Miguel

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 490 KB

english, 1995

27

N2–Kr interaction: A multiproperty analysis

McCourt, Frederick R. W., ter Horst, Marc A., Jameson, Cynthia J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 462 KB

english, 1995

28

On the dynamics of high Rydberg states of large molecules

Jortner, Joshua, Bixon, M.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 505 KB

english, 1995

29

Multidensity integral equation theory for highly asymmetric electrolyte solutions

Kalyuzhnyi, Yu. V., Vlachy, V., Holovko, M. F., Stell, G.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 519 KB

english, 1995

30

Monolayer orientational fluctuations and a new phase transition at the air water interface detected by second harmonic generation

Zhao, Xiaolin, Eisenthal, Kenneth B.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 497 KB

english, 1995

31

Calculation of the photodetachment spectrum of OHCl− using complex L2 functions

Mayrhofer, Rudolph C., Bowman, Joel M.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 465 KB

english, 1995

32

Convergence of molecular potential energy surfaces by interpolation: Application to the OH+H2→H2O+H reaction

Jordan, Meredith J. T., Thompson, Keiran C., Collins, Michael A.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 539 KB

english, 1995

33

Comment on ‘‘Infrared external reflection spectroscopy of adsorbates on dielectric substrates: Determining adsorbate orientation in Langmuir monolayers’’ [J. Chem. Phys. 98 , 5825 (1993)]

Hoffmann, Helmuth, Mayer, Ulrich

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 278 KB

english, 1995

34

Erratum: Triplet positronium annihilation parameters in ethanol–pentene mixtures containing platinum [J. Chem. Phys. 78 , 6588 (1983)]

Ciottone, Judith L.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 135 KB

english, 1995

35

Erratum: Triplet Ps annihilation parameters in ethanol/ cis ‐2‐pentene/platinum mixtures containing platinum or platinum on charcoal [J. Chem. Phys. 92 , 6581 (1990)]

Ciottone, Judith L., Lander, F.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 381 KB

english, 1995

36

Erratum: Triplet Ps annihilation parameters in ethanol/ cis ‐2‐pentene/platinum mixtures containing platinum or platinum on charcoal [J. Chem. Phys. 92 , 6581 (1990)]

Ciottone, Judith L., Lander, F.

Journal:

The Journal of Chemical Physics

Year:

1995

File:

PDF, 381 KB

1995