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Volume 106; Issue 7

The Journal of Chemical Physics

Volume 106; Issue 7

1

Measurement of the hydrodynamic corrections to the Brownian motion of two colloidal spheres

Crocker, John C.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 340 KB

english, 1997

2

Theoretical study of vibronic spectra and photodissociation pathways of methane

Mebel, Alexander M., Lin, Sheng-Hsien, Chang, Chung-Hung

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 442 KB

english, 1997

3

Freezing/melting phenomena for Lennard-Jones methane in slit pores: A Monte Carlo study

Miyahara, Minoru, Gubbins, Keith E.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 923 KB

english, 1997

4

Effect of close contacts on the radius of gyration of a polymer

Zwanzig, Robert

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 355 KB

english, 1997

5

Femtosecond site-selective probing of energy relaxing excitons in poly(phenylenevinylene): Luminescence dynamics and lifetime spectra

Kersting, R., Mollay, B., Rusch, M., Wenisch, J., Leising, G., Kauffmann, H. F.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 616 KB

english, 1997

6

Structure of inhomogeneous dipolar fluids: A density functional approach

Patra, Chandra N., Ghosh, Swapan K.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 344 KB

english, 1997

7

Perturbation theory for coupled anharmonic oscillators

Suvernev, Andrei A., Goodson, David Z.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 319 KB

english, 1997

8

Semiclassical theory of multi-channel curve crossing problems: Landau-Zener case

Zhu, Chaoyuan, Nakamura, Hiroki

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 470 KB

english, 1997

9

Statistical mechanics of a correlated energy landscape model for protein folding funnels

Plotkin, Steven S., Wang, Jin, Wolynes, Peter G.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 2.06 MB

english, 1997

10

The infrared spectrum of pyrazine in its metastable triplet state. A free-electron-laser study

Kok, P., Groenen, E. J. J., van Amersfoort, P. W., van der Meer, A. F. G.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 300 KB

english, 1997

11

Cavitation model of electron solvation dynamics: Effect of energy dissipation

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 396 KB

english, 1997

12

Ab initio calculations of the interaction of He with the B [sup 3]Π[sub 0u[sup +]] state of Cl2 as a function of the Cl2 internuclear separation

Rohrbacher, Andreas, Williams, Jason, Janda, Kenneth C., Cybulski, Sl̸awomir M., Burcl, Rudolf, Szczȩśniak, M. M., Chal̸asiński, Grzegorz, Halberstadt, Nadine

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 422 KB

english, 1997

13

Observation of the “isomerization states’’ of HCP by stimulated emission pumping spectroscopy: Comparison between theory and experiment

Ishikawa, Haruki, Nagao, Chioko, Mikami, Naohiko, Field, Robert W.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 343 KB

english, 1997

14

Erratum: Calculation of nuclear magnetic shieldings. X. Relativistic effects [J. Chem. Phys. 105, 3175 (1996)]

Fukui, H., Baba, T., Inomata, H.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 281 KB

english, 1997

15

Dependency of swelling on the length of subchain in poly(N,N-dimethylacrylamide)-based gels

Bromberg, Lev, Grosberg, Alexander Yu., Matsuo, Eriko Sato, Suzuki, Yasuo, Tanaka, Toyoichi

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 333 KB

english, 1997

16

Effects of external electric field on semidilute polymer solutions probed by dynamic light scattering

Wang, C. H., Huang, Q. R.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 329 KB

english, 1997

17

Dynamics of coarse-grained helical wormlike chains. III. First cumulant of the dynamic structure factor

Yoshizaki, Takenao, Osa, Masashi, Yamakawa, Hiromi

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 432 KB

english, 1997

18

Density functional approach to the structure of uniform fluids

Patra, Chandra N., Ghosh, Swapan K.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 405 KB

english, 1997

19

Manipulating external degrees of freedom with intense light: Laser focusing and trapping of molecules

Seideman, Tamar

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 516 KB

english, 1997

20

Dynamic simulation of flexible fibers composed of linked rigid bodies

Ross, Russell F., Klingenberg, Daniel J.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 464 KB

english, 1997

21

Infrared spectra of vaporized Pt and Pt+H2 in rare-gas matrices: Unique phonon effects

Li, S., Weimer, H. A., Van Zee, R. J., Weltner, Jr., W.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 367 KB

english, 1997

22

Low energy (

Akbulut, Mustafa, Madey, Theodore E., Nordlander, Peter

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 603 KB

english, 1997

23

Reactivity induced by complex formation: The reaction of O(3P) with HCl dimers

Hurwitz, Y., Stern, P. S., Naaman, R., McCoy, A. B.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 358 KB

english, 1997

24

Two-dimensional Raman spectroscopy of the intermolecular modes of liquid CS2

Tokmakoff, A., Fleming, G. R.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 567 KB

english, 1997

25

On the coherent vibrational phase in polarization sensitive resonance CARS spectroscopy of copper tetraphenylporphyrin

Voroshilov, Artemy, Otto, Cees, Greve, Jan

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 473 KB

english, 1997

26

Prediction of the temperature dependence of K-changing rotational collisional processes in CH3Cl

Pape, Travis W., De Lucia, Frank C., Skatrud, David D.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 356 KB

english, 1997

27

Modeling orientational randomization in zeolites: A new probe of intracage mobility, diffusion and cation disorder

Auerbach, Scott M., Metiu, Horia I.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 854 KB

english, 1997

28

The orientation of acetate on a TiO[sub 2](110) surface

Guo, Q., Cocks, I., Williams, E. M.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.11 MB

english, 1997

29

Ion solvation dynamics in binary mixtures

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

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 459 KB

english, 1997

30

Equilibrium properties of polyampholytes in electric fields

Winkler, Roland G., Reineker, Peter

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 434 KB

english, 1997

31

Thermodynamic properties of aqueous solutions: Nonsymmetric sticky electrolytes with overlap between ions in the mean-spherical approximation

Hu, Ying, Jiang, Jian-wen, Liu, Hong-lai, Prausnitz, John M.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 457 KB

english, 1997

32

Symmetric diblock copolymers under large amplitude oscillatory shear flow: Dual frequency experiments

Zhang, Yuanming, Wiesner, Ulrich

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 443 KB

english, 1997

33

A perturbation molecular orbital theory of electron-transfer rates

Dougherty, Ralph C.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 336 KB

english, 1997

34

Rotational spectrum of the Ar–HCO+ ionic complex

Ohshima, Yasuhiro, Sumiyoshi, Yoshihiro, Endo, Yasuki

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 300 KB

english, 1997

35

The microwave spectrum of the NH2 radical: The hyperfine structure of the 2B1 ground electronic state

Tonooka, Mizuho, Yamamoto, Satoshi, Kobayashi, Kaori, Saito, Shuji

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 331 KB

english, 1997

36

The influence of image interactions on the structure of water and electrolytes in front of a metal surface

Krämer, A., Vossen, M., Forstmann, F.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 457 KB

english, 1997

37

A variational approach to nonlocal exciton–phonon coupling

Zhao, Yang, Brown, David W., Lindenberg, Katja

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 478 KB

english, 1997

38

Geometries and energy separations of electronic states of AsCl[sub 2], AsBr[sub 2], AsCl[sub 2][sup +], and AsBr[sub 2][sup +]

Latifzadeh-Masoudipour, Lida, Balasubramanian, K.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 379 KB

english, 1997

39

Local free energy calculations in simulations

Vlot, Margot J., van der Eerden, Jan P.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 332 KB

english, 1997

40

Discrepancies in turbidity measurements in the ionic binary mixture triethyl n-hexyl ammonium triethyl n-hexyl boride in diphenyl ether

Wiegand, S., Levelt Sengers, J. M. H., Zhang, K. J., Briggs, M. E., Gammon, R. W.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 326 KB

english, 1997

41

Local volume fraction fluctuations in random media

Quintanilla, J., Torquato, S.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 458 KB

english, 1997

42

Hybrid schemes combining the Hartree–Fock method and density-functional theory: Underlying formalism and properties of correlation functionals

Görling, Andreas, Levy, Mel

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 378 KB

english, 1997

43

Hopping reactions of charged particles

Burshtein, A. I., Fedorenko, S. G.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 395 KB

english, 1997

44

Pseudo-ensemble simulations and Gibbs–Duhem integrations for polymers

Escobedo, Fernando A., de Pablo, Juan J.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 437 KB

english, 1997

45

Modified configurational bias Monte Carlo method for simulation of polymer systems

Vendruscolo, Michele

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 384 KB

english, 1997

46

On the transition from nonadiabatic to adiabatic rate kernel: Schwinger’s stationary variational principle and Padé approximation

Cho, Minhaeng, Silbey, Robert J.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 381 KB

english, 1997

47

A multi-configurational time-dependent Hartree approach to the direct calculation of thermal rate constants

Matzkies, Frank, Manthe, Uwe

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 388 KB

english, 1997

48

Integral equation approaches to mixtures of atomic and molecular fluids

Anta, J. A., Lomba, E., Alvarez, M., Martı́n, C., Lombardero, M.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 364 KB

english, 1997

49

Real time study of bimolecular interactions: Direct detection of internal conversion involving Br(2P1/2)+I2 initiated from a van der Waals dimer

Tuchler, Matthew F., Wright, Scott, McDonald, J. Douglas

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 466 KB

english, 1997

50

A first-principles simulation of the semiconductor/water interface

Ursenbach, C. P., Calhoun, August, Voth, Gregory A.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 402 KB

english, 1997

51

Erratum: Reverse Monte Carlo analysis of neutron diffraction results: Water around its critical point [J. Chem. Phys. 105, 2391 (1996)]

Jedlovszky, Pál, Vallauri, Renzo

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 352 KB

english, 1997

52

Erratum: Binary nucleation kinetics: A matrix method [J. Chem. Phys. 101 , 9997 (1994)]

Arstila, Hanna, Paatero, Pentti, Kulmala, Markku, Laaksonen, Ari

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 271 KB

english, 1997