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Volume 109; Issue 8

The Journal of Chemical Physics

Volume 109; Issue 8

1

Microscopic analysis of the coarsening of an interface in the spinodal decomposition of a binary fluid

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 374 KB

english, 1998

2

Dynamics of reduced density matrices: Classical memory versus quantum nonlocality

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 388 KB

english, 1998

3

Giant second-order Zeeman effect in titanium (III) doped caesium gallium alum

Tregenna-Piggott, Philip L. W., O’Brien, Mary C. M., Weihe, Ho̸gni, Güdel, Hans U.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 256 KB

english, 1998

4

Density functional theory of polymers: A Curtin-Ashcroft type weighted density approximation

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 373 KB

english, 1998

5

Ab initio study of the electronic spectrum of C[sub 2]H[sub 2][sup +]: Investigation of structure of spectra involving low-lying doublet electronic states

Perić, Miljenko, Ostojić, Bojana, Engels, Bernd

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 432 KB

english, 1998

6

Neutron diffraction study of high density supercritical water

Botti, Alberto, Bruni, Fabio, Ricci, Maria Antonietta, Soper, A. K.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 305 KB

english, 1998

7

Cooperative effects in the structuring of fluoride water clusters: Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent

Bryce, Richard A., Vincent, Mark A., Malcolm, Nathaniel O. J., Hillier, Ian H., Burton, Neil A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 388 KB

english, 1998

8

Mechanisms of solvation dynamics of polyatomic solutes in polar and nondipolar solvents: A simulation study

Ladanyi, Branka M., Maroncelli, Mark

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 563 KB

english, 1998

9

N[sub 2] on tungsten clusters: Molecular and dissociative adsorption

Holmgren, Lotta, Andersson, Mats, Rosén, Arne

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 364 KB

english, 1998

10

Temperature, pressure, and perturber dependencies of line-mixing effects in CO[sub 2] infrared spectra. II. Rotational angular momentum relaxation and spectral shift in Σ←Σ bands

Rodrigues, R., Boulet, C., Bonamy, L., Hartmann, J. M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 1.62 MB

english, 1998

11

Transition state spectroscopy on the Li-HF system

Paniagua, Miguel, Aguado, Alfredo, Lara, Manuel, Roncero, Octavio

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 331 KB

english, 1998

12

Ab initio relativistic pseudopotential study of small silver and gold sulfide clusters (M[sub 2]S)[sub n], n=1 and 2

Bagatur’yants, Alexander A., Safonov, Andrei A., Stoll, Hermann, Werner, Hans-Joachim

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 438 KB

english, 1998

13

On the use of the quasi-Gaussian entropy theory in noncanonical ensembles. II. Prediction of density dependence of thermodynamic properties

Apol, M. E. F., Amadei, A., Berendsen, H. J. C.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 470 KB

english, 1998

14

A molecular dynamics study of the structure of water layers adsorbed on MgO(100)

Marmier, A., Hoang, P. N. M., Picaud, S., Girardet, C., Lynden-Bell, R. M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 459 KB

english, 1998

15

The isocyanopolyynes HC[sub 4]NC and HC[sub 6]NC: Microwave spectra and ab initio calculations

Botschwina, P., Heyl, Ä., Chen, W., McCarthy, M. C., Grabow, J.-U., Travers, M. J., Thaddeus, P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 380 KB

english, 1998

16

Rotationally resolved photoelectron spectroscopy of autoionizing states of water

Glab, W. L., Child, M. S., Pratt, S. T.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 393 KB

english, 1998

17

The intermolecular potential between an inert gas and a halogen: Prediction and observation of transitions between the linear and T-shaped isomers of HeClF

Higgins, Kelly, Tao, Fu-Ming, Klemperer, William

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 506 KB

english, 1998

18

Resolution of alkane molecular polarizabilities into atomic terms

Ferraro, M. B., Caputo, M. C., Lazzeretti, P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 346 KB

english, 1998

19

Site and isotope effects on the molecular hydrogen elimination from ethylene at 157 nm excitation

Lin, Jim J., Hwang, Dennis W., Lee, Yuan T., Yang, Xueming

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 331 KB

english, 1998

20

Surface diffusion near the points corresponding to continuous phase transitions

Uebing, C., Zhdanov, V. P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 414 KB

english, 1998

21

The optical absorption spectrum of the octahedral RhCl[sub 6][sup 3−] complex: Ab initio calculations of excitation energies and the effect of spin-orbit coupling

Ribbing, Carl, Gilliams, Ben, Pierloot, Kristine, Roos, Björn O., Karlström, Gunnar

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 383 KB

english, 1998

22

Thermodynamic investigation of small germanium–tin clusters with a mass spectrometer

Schmude, Richard W., Gingerich, Karl A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 290 KB

english, 1998

23

Structural and thermodynamic properties of fluid carbon dioxide from a new ab initio potential energy surface

Steinebrunner, Gerold, Dyson, Anthony J., Kirchner, Barbara, Huber, Hanspeter

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 369 KB

english, 1998

24

Crossed molecular beam studies of the O([sup 1]D)+CH[sub 4] reaction: Evidences for the CH[sub 2]OH+H channel

Lin, J. J., Lee, Y. T., Yang, X.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 332 KB

english, 1998

25

Constant temperature molecular dynamics of a protein in water by high-order decomposition of the Liouville operator

Ishida, Hisashi, Kidera, Akinori

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 412 KB

english, 1998

26

A pair potentials study of matrix-isolated atomic zinc. II. Intersystem crossing in rare-gas clusters and matrices

Breckenridge, W. H., Morse, M. D., McCaffrey, John G.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 435 KB

english, 1998

27

On the use of the quasi-Gaussian entropy theory in noncanonical ensembles. I. Prediction of temperature dependence of thermodynamic properties

Amadei, A., Apol, M. E. F., Berendsen, H. J. C.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 506 KB

english, 1998

28

Theory of ion solvation dynamics in mixed dipolar solvents

Yoshimori, Akira, Day, Tyler J. F., Patey, G. N.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 445 KB

english, 1998

29

The Hartree–Fock calculation of the magnetic properties of molecular solutes

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 457 KB

english, 1998

30

A pair potentials study of matrix-isolated atomic zinc. I. Excited [sup 1]P[sub 1] state dynamics in solid Ar

Kerins, P. N., McCaffrey, John G.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 1.16 MB

english, 1998

31

Numerical and theoretical analysis of multiquantum magic-angle spinning experiments

Charpentier, Thibault, Fermon, Claude, Virlet, Joseph

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 594 KB

english, 1998

32

Deuterium dissociation on ordered Sn/Pt(111) surface alloys

Samson, P., Nesbitt, A., Koel, B. E., Hodgson, A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 573 KB

english, 1998

33

Semiclassical initial value approach for chaotic long-lived dynamics

Campolieti, G., Brumer, Paul

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 338 KB

english, 1998

34

Correlation function formulation for the state selected total reaction probability

Garashchuk, Sophya, Tannor, David J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 433 KB

english, 1998

35

Rigid particles in an elastic polymer network: An electrical-analog approach

Allegra, Giuseppe, Raos, Guido

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 413 KB

english, 1998

36

Optical properties of protein monolayers during assembly

Guemouri, L., Ogier, J., Ramsden, J. J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 317 KB

english, 1998

37

The total neutron scattering cross section of solid methane in phase II

Grieger, S., Friedrich, H., Guckelsberger, K., Scherm, R., Press, W.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 581 KB

english, 1998

38

Smooth transformations of Kratzer’s potential in N dimensions

Hall, Richard L., Saad, Nasser

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 337 KB

english, 1998

39

Interaction potentials for He–F[sup −] and Ne–F[sup −]

Archibong, Edet F., Hu, Ching-Han, Thakkar, Ajit J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 337 KB

english, 1998

40

[sup 35]Cl nuclear quadrupole resonance study of lattice dynamics in SnCl[sub 4]⋅5H[sub 2]O comprising uncoordinated water molecules

Oh, Dong Keun, Kwon, Young Man, Rhee, C., Lee, Cheol Eui, Kang, Jun-Kun

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 304 KB

english, 1998

41

Comment on “Frequency-dependent equation-of-motion coupled cluster hyperpolarizabilities: Resolution of the discrepancy between theory and experiment for HF?” [J. Chem. Phys. 107 , 10823 (1997)]

Hättig, Christof, Koch, Henrik, Jo/rgensen, Poul

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 296 KB

english, 1998