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Volume 109; Issue 9

The Journal of Chemical Physics

Volume 109; Issue 9

1

Second order Mo̸ller–Plesset perturbation theory without basis set superposition error

Mayer, I., Valiron, P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 545 KB

english, 1998

2

Cage substitution in metal–fullerene clusters

Branz, W., Billas, I. M. L., Malinowski, N., Tast, F., Heinebrodt, M., Martin, T. P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 308 KB

english, 1998

3

Accurate simulation of highly asymmetric electrolytes with charge asymmetry 20:1 and 20:2

Lobaskin, Vladimir, Linse, Per

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 436 KB

english, 1998

4

Effect of gravity on contact angle: An experimental investigation

Sasges, M. R., Ward, C. A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 1.03 MB

english, 1998

5

Generalized gradient approximation to the angle- and system-averaged exchange hole

Ernzerhof, Matthias, Perdew, John P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 492 KB

english, 1998

6

Multicomponent nucleation and droplet growth in natural gas

Luijten, C. C. M., van Hooy, R. G. P., Janssen, J. W. F., van Dongen, M. E. H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 419 KB

english, 1998

7

Effect of gravity on contact angle: A theoretical investigation

Ward, C. A., Sasges, M. R.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 450 KB

english, 1998

8

Tight-binding simulations of argon cation clusters

Morales, Guillermo A., Faulkner, Jessica, Hall, Randall W.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 315 KB

english, 1998

9

Near-infrared spectroscopy of CH[sub 2] by frequency modulated diode laser absorption

Marr, Andrew J., Sears, Trevor J., Chang, Bor-Chen

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 602 KB

english, 1998

10

A simple model to investigate the effects of non-Coulombic interactions on the structure of charged interfaces

Stafiej, J., di Caprio, D., Badiali, J. P.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 434 KB

english, 1998

11

The dipole moment and infrared transition strengths of nitric oxide

Rawlins, W. T., Person, J. C., Fraser, M. E., Miller, S. M., Blumberg, W. A. M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 334 KB

english, 1998

12

On the ground state of NiH[sub 2]

Barysz, Maria, Papadopoulos, Manthos G.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 281 KB

english, 1998

13

Calculated paramagnetic resonance parameters of a gallium arsenide cluster: Ga[sub 2]As[sub 3]

Arratia-Pérez, Ramiro, Hernández-Acevedo, Lucı́a

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 603 KB

english, 1998

14

A variational Monte Carlo study of the 2s-2p near degeneracy in beryllium, boron, and carbon atoms

Sarsa, A., Gálvez, F. J., Buendía, E.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 318 KB

english, 1998

15

How the structure of a confined fluid depends on the ensemble: Hard spheres in a spherical cavity

González, A., White, J. A., Román, F. L., Evans, R.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 547 KB

english, 1998

16

Relaxation of a system with a conical intersection coupled to a bath: A benchmark 24-dimensional wave packet study treating the environment explicitly

Worth, G. A., Meyer, H.-D., Cederbaum, L. S.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 448 KB

english, 1998

17

Complete binary collision approximation for the gas transport coefficients via the time correlation formulation

Alavi, Saman, Snider, R. F.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 453 KB

english, 1998

18

Shape distribution and correlation between size and shape of tetrahedral lattice chains in athermal and theta systems

Zifferer, Gerhard

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 391 KB

english, 1998

19

Two-photon spectroscopy of the (n,3s) Rydberg transition in acetaldehyde: The torsional sequence

Kim, Y., Fleniken, J., Meyer, H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 416 KB

english, 1998

20

Formation of XeBr[sup ∗], Xe[sup ∗], and Br[sup ∗] by the Xe[sup +]([sup 2]P[sub 1/2])/Br[sup −]/He and Xe[sup +]([sup 2]P[sub 3/2])/Br[sup −]/He three-body ionic-recombination reactions in a helium flowing afterglow

Tsuji, Masaharu, Ide, Masahiro, Oda, Erika, Nishimura, Yukio

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 486 KB

english, 1998

21

Polarization effects in C[sub 60] fullerene complexes of alkali ions

Ruiz, A., Hernández-Rojas, J., Bretón, J., Gomez Llorente, J. M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 363 KB

english, 1998

22

Gaussian-2 (G2) theory for third-row elements: A systematic study of the effect of the 3d orbitals

Duke, Brian J., Radom, Leo

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 337 KB

english, 1998

23

Anomalous heat capacity of nematic liquid crystals

Mukherjee, Prabir K.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 306 KB

english, 1998

24

Intermolecular V–V energy transfer in the photodissociation of CO[sub 2]–HF(v=1)

Oudejans, L., Miller, R. E.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 462 KB

english, 1998

25

Ab initio and semiempirical studies of the adsorption and dissociation of water on pure, defective, and doped MgO (001) surfaces

Almeida, A. L., Martins, João B. L., Taft, C. A., Longo, E., Lester, W. A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 930 KB

english, 1998

26

Lifetime lengthening of molecular Rydberg states in the condensed phase

Vigliotti, F., Zerza, G., Chergui, M., Rubayo-Soneira, J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 400 KB

english, 1998

27

A molecular dynamics study of the thermodynamic properties of liquid Ni using the Voter and Chen version of the embedded atom model

Alemany, M. M. G., Rey, C., Gallego, L. J.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 337 KB

english, 1998

28

Doppler-free optical-optical double resonance polarization spectroscopy of the Cs[sub 2] (2)[sup 3]Π[sub 0[sup +]u], (2)[sup 3]Π[sub 1u], C [sup 1]Π[sub u], and 1[sub u][(2)[sup 3]Σ[sub u][sup +]+(2)[sup 3]Π[sub u]] states

Kasahara, Shunji, Otsuka, Kyoko, Baba, Masaaki, Katô, Hajime

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 475 KB

english, 1998

29

An influence functional theory of multiphonon processes in molecular vibrational energy relaxation

Shiga, Motoyuki, Okazaki, Susumu

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 461 KB

english, 1998

30

Electron-hole pair contributions to scattering, sticking, and surface diffusion: CO on Cu(100)

Kindt, James T., Tully, John C., Head-Gordon, Martin, Gomez, Maria A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 383 KB

english, 1998

31

Ion-pair formation in near-thermal energy collisions of sodium clusters with electron acceptors

Hampe, Oliver, Gerhardt, Philip, Gilb, Stefan, Kappes, Manfred M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 511 KB

english, 1998

32

Radiative decay processes in the 6s and 7s Rydberg states of NO studied by three-color laser-induced amplified spontaneous emission spectroscopy

Sugita, Akihiro, Ikeda, Masashi, Tsukiyama, Koichi

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 418 KB

english, 1998

33

Structural transformation in the collapse transition of the single flexible homopolymer model

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 444 KB

english, 1998

34

Nitrogen recombination dynamics at Cu(111): Rotational energy release and product angular distributions

Murphy, M. J., Skelly, J. F., Hodgson, A.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 440 KB

english, 1998

35

Orientational order–disorder phase transitions in plastic molecular clusters: Projection of three-dimensional distributions onto a two-dimensional surface

Radev, Rossen A., Proykova, Ana, Li, Feng-Yin, Berry, R. Stephen

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 329 KB

english, 1998

36

Millimeter-wave spectroscopy of chromium monochloride (CrCl)

Oike, Tomoko, Okabayashi, Toshiaki, Tanimoto, Mitsutoshi

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 355 KB

english, 1998

37

A semiclassical approximation model for properties of molecules in solution

Luo, Yi, Norman, Patrick, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 357 KB

english, 1998

38

Nonequilibrium molecular velocity distribution in binary reactive gaseous mixture

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 420 KB

english, 1998

39

Infrared spectroscopy and time-resolved dynamics of the ortho-H[sub 2]–OH entrance channel complex

Anderson, David T., Schwartz, Rebecca L., Todd, Michael W., Lester, Marsha I.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 459 KB

english, 1998

40

Density dependence of self-diffusion in liquid hydrogen fluoride

Karger, N., Lüdemann, H.-D.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 294 KB

english, 1998

41

Comparison of conjugate gradient density matrix search and Chebyshev expansion methods for avoiding diagonalization in large-scale electronic structure calculations

Bates, Kevin R., Daniels, Andrew D., Scuseria, Gustavo E.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 312 KB

english, 1998

42

What is the best semiclassical method for photochemical dynamics of systems with conical intersections?

Topaler, Maria S., Allison, Thomas C., Schwenke, David W., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 690 KB

english, 1998

43

Orientational order and rotational dynamics of the amide ions in potassium amide. II. Quasielastic neutron scattering

Müller, M., Asmussen, B., Press, W., Senker, J., Jacobs, H., Büttner, H., Schober, H.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 410 KB

english, 1998

44

Vibrational corrections to static and dynamic hyperpolarizabilities of pure liquids: Calculations on methanol

Norman, Patrick, Luo, Yi, Ågren, Hans

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 396 KB

english, 1998

45

Cluster variation study of the underpotential deposition of Cu on Au(111) in the presence of bisulfate

Huckaby, Dale A., Legault, Marc D., Blum, L.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 385 KB

english, 1998

46

Relaxation in random pores

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 309 KB

english, 1998

47

Erratum: “Thermal and vibrational-state selected rates of the CH4+Cl↔HCl+CH3 reaction” [J. Chem. Phys. 103 , 9642 (1995)]

Duncan, Wendell T., Truong, Thanh N.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 271 KB

english, 1998