Volume 108; Issue 9

The Journal of Chemical Physics

Volume 108; Issue 9

1

Bond-selective dissociation of alkanethiol based self-assembled monolayers adsorbed on gold substrates, using low-energy electron beams

Olsen, C., Rowntree, P. A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 495 KB

english, 1998

2

Dissociative chemisorption of CH[sub 4] on Ni: The role of molecular orientation

Carré, Marie-Noëlle, Jackson, Bret

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 503 KB

english, 1998

3

On the kinetic theory of rarefied gas suspensions

Gladkov, M. Yu., Heinz, U.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 638 KB

english, 1998

4

Relativistic ab-initio calculations on PdH and PdD: The rovibronic spectra and rotational splittings

Fleig, Timo, Marian, Christel M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 400 KB

english, 1998

5

Structure of multi-component hard-sphere mixtures

Yuste, Santos Bravo, Santos, Andrés, López de Haro, Mariano

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 550 KB

english, 1998

6

Ab initio potential energy surface and infrared spectra of H[sub 2]-CO and D[sub 2]-CO van der Waals complexes

Jankowski, Piotr, Szalewicz, Krzysztof

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 505 KB

english, 1998

7

Direct evaluation of the equilibrium distribution of physical clusters by a grand canonical Monte Carlo simulation

Kusaka, I., Wang, Z.-G., Seinfeld, J. H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 612 KB

english, 1998

8

Development of a potential function for describing the properties of HCN clusters

Cabaleiro-Lago, Enrique M., Ríos, Miguel A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 310 KB

english, 1998

9

Phase diagram of a lyotropic mixture sodium bis (2 ethylhexyl) sulfosuccinate/dodecanol/water: Reverse micellar, cylindrical, lamellar, and sponge phases

Magalhães, M., Pusiol, D., Ramia, M. E., Figueiredo Neto, A. M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 652 KB

english, 1998

10

Quantum dynamics study of H[sub 2]+CN → HCN+H reaction in full dimensions

Zhu, Wei, Zhang, John Z. H., Zhang, Y. C., Zhang, Y. B., Zhan, L. X., Zhang, S. L., Zhang, D. H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 425 KB

english, 1998

11

The thermodynamics of nitrogen adsorption on nickel clusters: Ni[sub 19]–Ni[sub 71]

Parks, E. K., Nieman, G. C., Kerns, K. P., Riley, S. J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 420 KB

english, 1998

12

Kinetic model of coupled nonequilibrium condensation and radiative excitation of water molecules

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 577 KB

english, 1998

13

Complex trajectory method in semiclassical propagation of wave packets

Boiron, Marc, Lombardi, Maurice

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 532 KB

english, 1998

14

Ag[sub 5] is a planar trapezoidal molecule

Haslett, T. L., Bosnick, K. A., Moskovits, M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 322 KB

english, 1998

15

Laser-induced fluorescence spectroscopy of the C[sub 4]H and C[sub 4]D radicals in a supersonic jet

Hoshina, Kennosuke, Kohguchi, Hiroshi, Ohshima, Yasuhiro, Endo, Yasuki

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 544 KB

english, 1998

16

Description of ligand field splitting in terms of density functional theory: Calculations of the split levels of the [sup 2]F[sub 5/2] and [sup 2]F[sub 7/2] subterms in CeO and CeF under the weak field coupling scheme

Dai, Dadi, Li, Lemin, Ren, J., Whangbo, M.-H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 420 KB

english, 1998

17

Two-pulse coherent control of electronic branching in Li[sub 2] photodissociation

Abrashkevich, Dmitri G., Shapiro, Moshe, Brumer, Paul

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 399 KB

english, 1998

18

One-fluid theory of liquid-vapor surface tension in simple multi-component mixtures

Kalikmanov, V. I.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 338 KB

english, 1998

19

A novel Monte Carlo algorithm for polarizable force fields: Application to a fluctuating charge model for water

Martin, Marcus G., Chen, Bin, Siepmann, J. Ilja

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 283 KB

english, 1998

20

Analytic integral equation theory for the critical properties of homopolymer fluids

Chatterjee, Avik P., Schweizer, Kenneth S.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 522 KB

english, 1998

21

Experimental and theoretical study of the AlNe complex

Yang, Xin, Dagdigian, Paul J., Alexander, Millard H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 415 KB

english, 1998

22

The pulsed electron–electron double resonance and “2+1” electron spin echo study of the oriented oxygen-evolving and Mn-depleted preparations of photosystem II

Astashkin, Andrei V., Hara, Hideyuki, Kawamori, Asako

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 423 KB

english, 1998

23

Vibronic dependence of the B̃ state lifetimes of CH[sub 3]I and CD[sub 3]I using femtosecond photoionization spectroscopy

Baronavski, A. P., Owrutsky, J. C.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 391 KB

english, 1998

24

Mass density of polystyrene thin films measured by twin neutron reflectivity

Wallace, W. E., Beck Tan, N. C., Wu, W. L., Satija, S.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 341 KB

english, 1998

25

Bonding and structure of Y[sub 3]C[sub 2] and Y[sub 3]C[sub 2][sup +]

Yang, Dong-Sheng, Zgierski, Marek Z., Hackett, Peter A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 373 KB

english, 1998

26

Contribution of capillary waves to the interfacial correlation function

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 487 KB

english, 1998

27

Electronic extracule moments of atoms in position and momentum spaces

Koga, Toshikatsu, Matsuyama, Hisashi

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 389 KB

english, 1998

28

Activated chemistry in the presence of a strongly symmetrically coupled vibration

Antoniou, Dimitri, Schwartz, Steven D.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 351 KB

english, 1998

29

Simulation of the athermal coarsening of composites structured by a uniaxial field

Martin, James E., Anderson, Robert A., Tigges, Chris P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 1.85 MB

english, 1998

30

The relativistic Fock-space coupled-cluster method for molecules: CdH and its ions

Eliav, Ephraim, Kaldor, Uzi, Hess, Bernd A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 364 KB

english, 1998

31

The kinkiness of cumulenones: H[sub 2]C[sub 3]O, H[sub 2]C[sub 4]O, and H[sub 2]C[sub 5]O

East, Allan L. L.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 441 KB

english, 1998

32

Kinetic theory of band shapes in molecular spectra of gases: Application to band wings

Filippov, N. N., Tonkov, M. V.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 490 KB

english, 1998

33

Variety of wetting behaviors at the free surface of isotropic liquid crystals

Lucht, R., Bahr, Ch., Heppke, G., Goodby, J. W.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 354 KB

english, 1998

34

Density functional study of endohedral complexes M@C[sub 60] (M=Li, Na, K, Be, Mg, Ca, La, B, Al): Electronic properties, ionization potentials, and electron affinities

Brocl̸awik, Ewa, Eilmes, Andrzej

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 340 KB

english, 1998

35

The hydrogen-bonding topologies of indole–(water)[sub n] clusters from resonant ion-dip infrared spectroscopy

Carney, Joel R., Hagemeister, Fredrick C., Zwier, Timothy S.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 323 KB

english, 1998

36

Density functional analysis of [sup 13]C and [sup 1]H chemical shifts and bonding in mercurimethanes and organomercury hydrides: The role of scalar relativistic, spin-orbit, and substituent effects

Kaupp, Martin, Malkina, Olga L.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 465 KB

english, 1998

37

Empirical exponent law of the second-order hyperpolarizability in small armchair and zig–zag nanotubes

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 327 KB

english, 1998

38

Reactive scattering of highly vibrationally excited oxygen molecules: Ozone formation?

Lauvergnat, David, Clary, David C.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 405 KB

english, 1998

39

The distribution of density matrices over potential-energy surfaces: Application to the calculation of the far-wing line shapes for CO[sub 2]

Ma, Q., Tipping, R. H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 553 KB

english, 1998

40

Quantum mechanical calculation of the rate constant for the reaction H+O[sub 2]→OH+O

Viel, Alexandra, Leforestier, Claude, Miller, William H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 473 KB

english, 1998

41

Clear-cut experimental observation of the capillary wave to elastic wave crossover in concentrated polymer solutions

Huang, Q. R., Wang, C. H., Deng, N. J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 378 KB

english, 1998

42

Far-infrared and combination-band spectra of the ring-puckering and ring-flapping vibrations of phthalan: A failure of the one-dimensional model

Klots, Timothy, Sakurai, Sachie, Laane, Jaan

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 350 KB

english, 1998

43

Mathematical modeling of the NO+H[sub 2]/Pt(100) reaction: “Surface explosion,” kinetic oscillations, and chaos

Makeev, A. G., Nieuwenhuys, B. E.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 498 KB

english, 1998

44

Thermodynamics of the associative mean spherical approximation for the fluid of dimerizing particles

Kalyuzhnyi, Yu. V., Holovko, M. F.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 384 KB

english, 1998

45

Fourier transform infrared observation of the ν[sub 1](σ) mode of linear SiCH in Ar at 10 K

Han, D. S., Rittby, C. M. L., Graham, W. R. M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 386 KB

english, 1998

46

Spurious cooperativity in alkylated succinic acids

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 582 KB

english, 1998

47

Two-dimensional vibrational potential energy surface for phthalan: The effect of large coupling on vibrational quantum states

Sakurai, Sachie, Meinander, Niklas, Laane, Jaan

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 395 KB

english, 1998

48

Resonance ionization spectroscopy of cyanogen

Velazquez, Jon, Cool, Terrill A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 427 KB

english, 1998

49

Comparison of spin-orbit configuration interaction methods employing relativistic effective core potentials for the calculation of zero-field splittings of heavy atoms with a [sup 2]P[sup o] ground state

Buenker, Robert J., Alekseyev, Aleksey B., Liebermann, Heinz-Peter, Lingott, Rainer, Hirsch, Gerhard

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 346 KB

english, 1998

50

Intermolecular energy transfer probabilities from trajectory calculations: A new approach

Bernshtein, V., Oref, I.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 454 KB

english, 1998

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