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Volume 131; Issue 19

The Journal of Chemical Physics

Volume 131; Issue 19

1

Manipulating stimulated coherent anti-Stokes Raman spectroscopy signals by broad-band and narrow-band pulses

Rahav, Saar, Roslyak, Oleksiy, Mukamel, Shaul

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 316 KB

english, 2009

2

A theoretical basis for spontaneous polarization transfer in non-hydrogenative parahydrogen-induced polarization

Adams, Ralph W., Duckett, Simon B., Green, Richard A., Williamson, David C., Green, Gary G. R.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 660 KB

english, 2009

3

Dynamic rheology of sphere- and rod-based magnetorheological fluids

de Vicente, J., Segovia-Gutiérrez, J. P., Andablo-Reyes, E., Vereda, F., Hidalgo-Álvarez, R.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.02 MB

english, 2009

4

X-ray absorption spectroscopy of biomimetic dye molecules for solar cells

Liu, Xiaosong, Yang, Wanli, Himpsel, F. J., Cook, Peter L.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.45 MB

english, 2009

5

Pressure dependence of the large-scale structure of water

Cunsolo, A., Formisano, F., Ferrero, C., Bencivenga, F., Finet, S.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 749 KB

english, 2009

6

Swelling and collapse of polyelectrolyte gels in equilibrium with monovalent and divalent electrolyte solutions

Yin, De-Wei, Olvera de la Cruz, Monica, de Pablo, Juan J.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 916 KB

english, 2009

7

Origin of translocation barriers for polyelectrolyte chains

Kumar, Rajeev, Muthukumar, M.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.51 MB

english, 2009

8

Photochemistry of 3-hydroxyflavone inside superfluid helium nanodroplets

Lehnig, R., Pentlehner, D., Vdovin, A., Dick, B., Slenczka, A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 850 KB

english, 2009

9

Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets

Hill, J. Grant, Peterson, Kirk A., Knizia, Gerald, Werner, Hans-Joachim

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 690 KB

english, 2009

10

Unimolecular decomposition of tetrazine-N-oxide based high nitrogen content energetic materials from excited electronic states

Bhattacharya, A., Guo, Y. Q., Bernstein, E. R.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.32 MB

english, 2009

11

Interfering pathways in benzene: An analytical treatment

Hansen, Thorsten, Solomon, Gemma C., Andrews, David Q., Ratner, Mark A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 790 KB

english, 2009

12

Improvement of the ab initio embedded cluster method for luminescence properties of doped materials by taking into account impurity induced distortions: The example of Y[sub 2]O[sub 3]:Bi[sup 3+]

Réal, Florent, Ordejón, Belén, Vallet, Valérie, Flament, Jean-Pierre, Schamps, Joël

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 947 KB

english, 2009

13

Effects of methanol on nanoparticle self-assembly at liquid-liquid interfaces: A molecular dynamics approach

Luo, Mingxiang, Song, Yanmei, Dai, Lenore L.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.30 MB

english, 2009

14

Spin-locking of half-integer quadrupolar nuclei in nuclear magnetic resonance of solids: Second-order quadrupolar and resonance offset effects

Ashbrook, Sharon E., Wimperis, Stephen

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 818 KB

english, 2009

15

Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the nπ[sup ∗] state

Ootani, Yusuke, Satoh, Kiminori, Nakayama, Akira, Noro, Takeshi, Taketsugu, Tetsuya

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.28 MB

english, 2009

16

On nonadiabatic coupling vectors in time-dependent density functional theory

Tavernelli, Ivano, Curchod, Basile F. E., Rothlisberger, Ursula

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 296 KB

english, 2009

17

Stacking of polycyclic aromatic hydrocarbons as prototype for graphene multilayers, studied using density functional theory augmented with a dispersion term

Feng, C., Lin, C. S., Fan, W., Zhang, R. Q., Van Hove, M. A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 710 KB

english, 2009

18

Efficient calculation of the polarization induced by N coherent laser pulses

Gelin, Maxim F., Egorova, Dassia, Domcke, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 617 KB

english, 2009

19

Molecular cooperativity in the dynamics of glass-forming systems: A new insight

Hong, L., Gujrati, P. D., Novikov, V. N., Sokolov, A. P.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 674 KB

english, 2009

20

Theory for the three-dimensional Mercedes-Benz model of water

Bizjak, Alan, Urbic, Tomaz, Vlachy, Vojko, Dill, Ken A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 508 KB

english, 2009

21

Deliquescence and efflorescence of small particles

McGraw, Robert, Lewis, Ernie R.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 315 KB

english, 2009

22

Stability of binary mixtures in electric field gradients

Samin, Sela, Tsori, Yoav

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 421 KB

english, 2009

23

Oscillator strengths and line widths of dipole-allowed transitions in [sup 14]N[sub 2] between 86.0 and 89.7 nm

Heays, A. N., Lewis, B. R., Stark, G., Yoshino, K., Smith, Peter L., Huber, K. P., Ito, K.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 183 KB

english, 2009

24

Fluorescence depolarization in poly[2-methoxy-5-((2-ethylhexyl)oxy)-1,4-phenylenevinylene]: Sites versus eigenstates hopping

Singh, Jaykrishna, Bittner, Eric R., Beljonne, David, Scholes, Gregory D.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 876 KB

english, 2009

25

Kinetics and morphology of cluster growth in a model of short-range attractive colloids

Khan, Siddique J., Sorensen, C. M., Chakrabarti, A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 15.07 MB

english, 2009

26

The transition state transit time of WW domain folding is controlled by energy landscape roughness

Liu, Feng, Nakaema, Marcelo, Gruebele, Martin

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.20 MB

english, 2009

27

Laser spectroscopy of NiI: New electronic states and hyperfine structure

Cheung, A. S.-C., Pang, H. F., Tam, W. S., Leung, J. W.-H.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 294 KB

english, 2009

28

An optimized full-configuration-interaction nuclear orbital approach to a “hard-core” interaction problem: Application to ([sup 3]He)[sub N]–Cl[sub 2](B) clusters (N≤4)

de Lara-Castells, M. P., Villarreal, P., Delgado-Barrio, G., Mitrushchenkov, A. O.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 911 KB

english, 2009

29

A molecular dynamics study of the influence of ionic charge distribution on the dynamics of a molten salt

Li, Hualin, Kobrak, Mark N.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 235 KB

english, 2009

30

Electronic relaxation dynamics in large anionic water clusters: (H[sub 2]O)[sub n]−] and (D[sub 2]O)[sub n]−] (n=25–200)

Griffin, Graham B., Young, Ryan M., Ehrler, Oli T., Neumark, Daniel M.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 998 KB

english, 2009

31

Multiconfiguration time-dependent Hartree and classical dynamics studies of the photodissociation of HF and HCl molecules adsorbed on ice: Extension to three dimensions

Woittequand, S., Toubin, C., Monnerville, M., Briquez, S., Pouilly, B., Meyer, H.-D.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 697 KB

english, 2009

32

A new generic model potential for mesogenic systems: Square well line potential of variable range

Varga, Szabolcs, Vesely, Franz J.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 487 KB

english, 2009

33

Reactions of simple aromatic heterocycles with niobium cluster ions (n≤30)

Pfeffer, Britta, Jaberg, Stephanie, Niedner-Schatteburg, Gereon

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 345 KB

english, 2009

34

Multiplet splittings and intensities of fine structure components of the Q[sub 1](0)H[sub 2]+S[sub 0](0)N[sub 2] transition in a solid parahydrogen matrix

Mishra, Adya P., Singh, Param Jeet

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 126 KB

english, 2009

35

Free energy landscape for the translocation of polymer through an interacting pore

Sun, Li-Zhen, Cao, Wei-Ping, Luo, Meng-Bo

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 279 KB

english, 2009

36

Stochastic bimodalities in deterministically monostable reversible chemical networks due to network topology reduction

Artyomov, Maxim N., Mathur, Manikandan, Samoilov, Michael S., Chakraborty, Arup K.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 895 KB

english, 2009

37

Emergence of complex behavior in gelling systems starting from simple behavior of single clusters

Fierro, A., Abete, T., Coniglio, A.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 377 KB

english, 2009

38

Excited and ionized states of the ozone molecule with full triples coupled cluster methods

Musiał, Monika, Kucharski, Stanisław A., Zerzucha, Piotr, Kuś, Tomasz, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 172 KB

english, 2009

39

Electronic photodissociation spectra and decay pathways of gas-phase IrBr[sub 6]2−]

Marcum, Jesse C., Weber, J. Mathias

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 446 KB

english, 2009

40

All-atom ab initio native structure prediction of a mixed fold (1FME): A comparison of structural and folding characteristics of various ββα miniproteins

Kim, Eunae, Jang, Soonmin, Pak, Youngshang

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

41

Publisher’s Note: “Transition state analysis of solid-solid transformations in nanocrystals” [J. Chem. Phys. 131, 164116 (2009)]

Grünwald, Michael, Dellago, Christoph

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 69 KB

english, 2009

42

Publisher’s Note: “On the kinetics of the Al[sub 13]−]+Cl[sub 2] reaction: Cluster degradation in consecutive steps” [J. Chem. Phys. 131, 174304 (2009)]

Olzmann, Matthias, Burgert, Ralf, Schnöckel, Hansgeorg

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 32 KB

english, 2009

43

Numerical determination of the exponents controlling the relationship between time, length, and temperature in glass-forming liquids

Cammarota, Chiara, Cavagna, Andrea, Gradenigo, Giacomo, Grigera, Tomas S., Verrocchio, Paolo

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 1.00 MB

english, 2009

44

Localized soft modes and the supercooled liquid’s irreversible passage through its configuration space

Widmer-Cooper, Asaph, Perry, Heidi, Harrowell, Peter, Reichman, David R.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 3.60 MB

english, 2009