(2012, April) The Journal of Chemical Physics Vol. 136 (13) AIP Publishing

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Reference Type	Journal (issue)
Journal	The Journal of Chemical Physics
Year	2012 (April)	Volume	136
Issue	< 13 >
Publisher	AIP Publishing
Mindat Ref. ID	2350408	Long-form Identifier	mindat:1:5:2350408:6
GUID	0
Full Reference	(2012, April) The Journal of Chemical Physics Vol. 136 (13) AIP Publishing
Plain Text	(2012, April) The Journal of Chemical Physics Vol. 136 (13) AIP Publishing
In	(2012) The Journal of Chemical Physics Vol. 136. AIP Publishing

Contains

	Schmidt, J. A., Johnson, M. S., McBane, G. C., Schinke, R. (2012) Communication: Multi-state analysis of the OCS ultraviolet absorption including vibrational structure. The Journal of Chemical Physics, 136 (13). 131101pp. doi:10.1063/1.3701699
	Kwaadgras, Bas W., Dijkstra, Marjolein, van Roij, René (2012) Communication: Bulkiness versus anisotropy: The optimal shape of polarizable Brownian nanoparticles for alignment in electric fields. The Journal of Chemical Physics, 136 (13). 131102pp. doi:10.1063/1.3701615
	Ohwaki, Tsukuru, Otani, Minoru, Ikeshoji, Tamio, Ozaki, Taisuke (2012) Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methods. The Journal of Chemical Physics, 136 (13). 134101pp. doi:10.1063/1.3698583
	Bleiziffer, Patrick, Heßelmann, Andreas, Görling, Andreas (2012) Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation. The Journal of Chemical Physics, 136 (13). 134102pp. doi:10.1063/1.3697845
	Alicki, Robert, Miklaszewski, Wiesław (2012) A resonance mechanism of efficient energy transfer mediated by Fenna-Matthews-Olson complex. The Journal of Chemical Physics, 136 (13). 134103pp. doi:10.1063/1.3697975
	Markesteijn, A. P., Hartkamp, Remco, Luding, S., Westerweel, J. (2012) A comparison of the value of viscosity for several water models using Poiseuille flow in a nano-channel. The Journal of Chemical Physics, 136 (13). 134104pp. doi:10.1063/1.3697977
	Jiang, Nan, Ma, Jing (2012) Multi-layer coarse-graining polarization model for treating electrostatic interactions of solvatedα-conotoxin peptides. The Journal of Chemical Physics, 136 (13). 134105pp. doi:10.1063/1.3700157
	Kruppa, Tobias, Neuhaus, Tim, Messina, René, Löwen, Hartmut (2012) Soft repulsive mixtures under gravity: Brazil-nut effect, depletion bubbles, boundary layering, nonequilibrium shaking. The Journal of Chemical Physics, 136 (13). 134106pp. doi:10.1063/1.3698622
	Nakano, Hiroshi, Yamamoto, Takeshi (2012) Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent. The Journal of Chemical Physics, 136 (13). 134107pp. doi:10.1063/1.3699234
	Mehrotra, Anuja Seth, Puri, Sanjay, Khakhar, D. V. (2012) Field induced gradient simulations: A high throughput method for computing chemical potentials in multicomponent systems. The Journal of Chemical Physics, 136 (13). 134108pp. doi:10.1063/1.3693328
	*Chen, Duan, Wei, Guo-Wei (2012) Quantum dynamics in continuum for proton transport—Generalized correlation. The Journal of Chemical Physics, 136 (13). 134109pp. doi:10.1063/1.3698598*
	Wouters, Sebastian, Limacher, Peter A., Van Neck, Dimitri, Ayers, Paul W. (2012) Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations. The Journal of Chemical Physics, 136 (13). 134110pp. doi:10.1063/1.3700087
	Musiał, Monika (2012) Multireference Fock space coupled cluster method in the effective and intermediate Hamiltonian formulation for the (2,0) sector. The Journal of Chemical Physics, 136 (13). 134111pp. doi:10.1063/1.3700438
	Kim, Yong-Hyun, Kim, Kwiseon, Zhang, S. B. (2012) First-principles calculation of thermodynamic stability of acids and bases under pH environment: A microscopic pH theory. The Journal of Chemical Physics, 136 (13). 134112pp. doi:10.1063/1.3700442
	Glass-Maujean, M., Schmoranzer, H., Haar, I., Knie, A., Reiss, P., Ehresmann, A. (2012) The J = 1 para levels of the v = 0 to 6 np singlet Rydberg series of molecular hydrogen revisited. The Journal of Chemical Physics, 136 (13). 134301pp. doi:10.1063/1.3697967
	Gao, Hong, Pan, Yang, Yang, Lei, Zhou, Jingang, Ng, C. Y., Jackson, William M. (2012) Time-slice velocity-map ion imaging studies of the photodissociation of NO in the vacuum ultraviolet region. The Journal of Chemical Physics, 136 (13). 134302pp. doi:10.1063/1.3696897
	Rudakov, Fedor, Weber, Peter M. (2012) Ultrafast structural and isomerization dynamics in the Rydberg-exited Quadricyclane: Norbornadiene system. The Journal of Chemical Physics, 136 (13). 134303pp. doi:10.1063/1.3697472
	*García-Vela, A. (2012) Active control of the lifetime of excited resonance states by means of laser pulses. The Journal of Chemical Physics, 136 (13). 134304pp. doi:10.1063/1.3698396*
	Bubin, Sergiy, Adamowicz, Ludwik (2012) Explicitly correlated Gaussian calculations of the 2Po Rydberg spectrum of the lithium atom. The Journal of Chemical Physics, 136 (13). 134305pp. doi:10.1063/1.3698584
	Brown, James, Wang, Xiao-Gang, Dawes, Richard, Carrington, Tucker (2012) Computational study of the rovibrational spectrum of (OCS)2. The Journal of Chemical Physics, 136 (13). 134306pp. doi:10.1063/1.3697679
	Savee, John D., Soorkia, Satchin, Welz, Oliver, Selby, Talitha M., Taatjes, Craig A., Osborn, David L. (2012) Absolute photoionization cross-section of the propargyl radical. The Journal of Chemical Physics, 136 (13). 134307pp. doi:10.1063/1.3698282
	Boccia, A., Lanzilotto, V., Marrani, A. G., Stranges, S., Zanoni, R., Alagia, M., Fronzoni, G., Decleva, P. (2012) C–C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach. The Journal of Chemical Physics, 136 (13). 134308pp. doi:10.1063/1.3698283
	Gascooke, Jason R., Alexander, Ula N., Lawrance, Warren D. (2012) Two-dimensional laser induced fluorescence spectroscopy of van der Waals complexes: Fluorobenzene-Arn (n = 1,2). The Journal of Chemical Physics, 136 (13). 134309pp. doi:10.1063/1.3697474
	Liu, Yang, Kumari, Sudesh, Roudjane, Mourad, Li, Shenggang, Yang, Dong-Sheng (2012) Electronic states and pseudo Jahn-Teller distortion of heavy metal-monobenzene complexes: M(C6H6) (M = Y, La, and Lu). The Journal of Chemical Physics, 136 (13). 134310pp. doi:10.1063/1.3700085
	Medel, Victor M., Reber, Arthur C., Ulises Reveles, J., Khanna, Shiv N. (2012) Metallic and molecular orbital concepts in XMg8 clusters, X = Be-F. The Journal of Chemical Physics, 136 (13). 134311pp. doi:10.1063/1.3700086
	Stanton, John F., Garand, Etienne, Kim, Jongjin, Yacovitch, Tara I., Hock, Christian, Case, Amanda S., Miller, Elisa M., Lu, Yu-Ju, Vogelhuber, Kristen M., Wren, Scott W., Ichino, Takatoshi, Maier, John P., McMahon, Robert J., Osborn, David L., Neumark, Daniel M., Lineberger, W. Carl (2012) Ground and low-lying excited states of propadienylidene (H2C=C=C:) obtained by negative ion photoelectron spectroscopy. The Journal of Chemical Physics, 136 (13). 134312pp. doi:10.1063/1.3696896
	Kato, H., Suga, A., Hoshino, M., Blanco, F., García, G., Limão-Vieira, P., Brunger, M. J., Tanaka, H. (2012) Elastic cross sections for electron scattering from GeF4: Predominance of atomic-F in the high-energy collision dynamics. The Journal of Chemical Physics, 136 (13). 134313pp. doi:10.1063/1.3699040
	Sanzharov, Maxim, Rotger, Maud, Loëte, Michel, Boudon, Vincent, Zvereva-Loëte, Natalia, Ballandras, Anthony, Weber, Guy (2012) Stark spectrum simulation for X2Y4 molecules: Application to the ν12 band of ethylene in a high-silica zeolite. The Journal of Chemical Physics, 136 (13). 134314pp. doi:10.1063/1.3700342
	Williams, Kristen S., Hooper, Joseph P., Horn, Jillian M., Lightstone, James M., Wang, Haopeng, Ko, Yeon Jae, Bowen, Kit H. (2012) Magnetic structure variation in manganese-oxide clusters. The Journal of Chemical Physics, 136 (13). 134315pp. doi:10.1063/1.3698279
	Sartakov, Boris G., Toennies, J. Peter, Vilesov, Andrey F. (2012) Infrared spectroscopy of carbonyl sulfide inside a pure3He droplet. The Journal of Chemical Physics, 136 (13). 134316pp. doi:10.1063/1.3697475
	Pershina, V., Borschevsky, A., Anton, J. (2012) Theoretical predictions of properties of group-2 elements including element 120 and their adsorption on noble metal surfaces. The Journal of Chemical Physics, 136 (13). 134317pp. doi:10.1063/1.3699232
	Gerardi, Helen K., DeBlase, Andrew F., Leavitt, Christopher M., Su, Xiaoge, Jordan, Kenneth D., McCoy, Anne B., Johnson, Mark A. (2012) Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2−, with vibrational and photoelectron spectroscopies. The Journal of Chemical Physics, 136 (13). 134318pp. doi:10.1063/1.3693271
	Vila, Henrique Vieira Rivera, Leal, Luciano Almeida, Martins, João Batista Lopes, Skouteris, Dimitrios, e Silva, Geraldo Magela, Gargano, Ricardo (2012) The H + Li2 bimolecular exchange reaction: Dynamical and kinetical properties at J = 0. The Journal of Chemical Physics, 136 (13). 134319pp. doi:10.1063/1.3700164
	Kast, Stefan M., Schäfer, Sascha, Schäfer, Rolf (2012) Thermally induced polarizabilities and dipole moments of small tin clusters. The Journal of Chemical Physics, 136 (13). 134320pp. doi:10.1063/1.3699071
	Domingos, Sérgio R., Silva, Pedro S. Pereira, Buma, Wybren Jan, Garcia, M. Helena, Lopes, Nelson C., Paixão, José António, Silva, Manuela Ramos, Woutersen, Sander (2012) Amplification of the linear and nonlinear optical response of a chiral molecular crystal. The Journal of Chemical Physics, 136 (13). 134501pp. doi:10.1063/1.3697842
	*Lutsko, James F. (2012) Nucleation of colloids and macromolecules: Does the nucleation pathway matter?. The Journal of Chemical Physics, 136 (13). 134502pp. doi:10.1063/1.3698603*
	Mahns, Benjamin, Roth, Friedrich, Knupfer, Martin (2012) Absence of photoemission from the Fermi level in potassium intercalated picene and coronene films: Structure, polaron, or correlation physics?. The Journal of Chemical Physics, 136 (13). 134503pp. doi:10.1063/1.3699188
	*Ronceray, Pierre, Harrowell, Peter (2012) Geometry and the entropic cost of locally favoured structures in a liquid. The Journal of Chemical Physics, 136 (13). 134504pp. doi:10.1063/1.3701617*
	*Odriozola, Gerardo (2012) Revisiting the phase diagram of hard ellipsoids. The Journal of Chemical Physics, 136 (13). 134505pp. doi:10.1063/1.3699331*
	Pavaskar, Ganeshprasad, Sharma, Siddharth, Punnathanam, Sudeep N. (2012) Effect of charge asymmetry and charge screening on structure of superlattices formed by oppositely charged colloidal particles. The Journal of Chemical Physics, 136 (13). 134506pp. doi:10.1063/1.3700226
	Ramasesha, Krupa, De Marco, Luigi, Horning, Andrew D., Mandal, Aritra, Tokmakoff, Andrei (2012) A phenomenological approach to modeling chemical dynamics in nonlinear and two-dimensional spectroscopy. The Journal of Chemical Physics, 136 (13). 134507pp. doi:10.1063/1.3700718
	Izvekov, Sergei, Rice, Betsy M. (2012) Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction model. The Journal of Chemical Physics, 136 (13). 134508pp. doi:10.1063/1.3696865
	*Horowitz, Yonatan, Asscher, Micha (2012) Low energy charged particles interacting with amorphous solid water layers. The Journal of Chemical Physics, 136 (13). 134701pp. doi:10.1063/1.3697870*
	Ustinov, E. A., Do, D. D. (2012) Two-dimensional order-disorder transition of argon monolayer adsorbed on graphitized carbon black: Kinetic Monte Carlo method. The Journal of Chemical Physics, 136 (13). 134702pp. doi:10.1063/1.3698194
	Nolan, Michael (2012) Charge transfer and formation of reduced Ce3+ upon adsorption of metal atoms at the ceria (110) surface. The Journal of Chemical Physics, 136 (13). 134703pp. doi:10.1063/1.3697485
	Peverati, Roberto, Truhlar, Donald G. (2012) Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors. The Journal of Chemical Physics, 136 (13). 134704pp. doi:10.1063/1.3698285
	Heyes, D. M., Smith, E. R., Dini, D., Spikes, H. A., Zaki, T. A. (2012) Pressure dependence of confined liquid behavior subjected to boundary-driven shear. The Journal of Chemical Physics, 136 (13). 134705pp. doi:10.1063/1.3698601
	Braatz, Carolin R., Öhl, Gregor, Jakob, Peter (2012) Vibrational properties of the compressed and the relaxed 1,4,5,8-naphthalene-tetracarboxylic dianhydride monolayer on Ag(111). The Journal of Chemical Physics, 136 (13). 134706pp. doi:10.1063/1.3699030
	*Fleer, G. J., Skvortsov, A. M. (2012) Reconciling lattice and continuum models for polymers at interfaces. The Journal of Chemical Physics, 136 (13). 134707pp. doi:10.1063/1.3693515*
	Peltomäki, Matti, Gompper, Gerhard, Kroll, Daniel M. (2012) Scattering intensity of bicontinuous microemulsions and sponge phases. The Journal of Chemical Physics, 136 (13). 134708pp. doi:10.1063/1.3701265
	H., Carmen González, Volkmann, Ulrich G., Retamal, Maria J., Cisternas, Marcelo, Sarabia, Mauricio A., López, Karina A. (2012) Thermal behavior of 1,2-dipalmitoyl-sn-3-phosphoglycerocholine bi- and multi-layers, deposited with physical vapor deposition under ellipsometric growth control. The Journal of Chemical Physics, 136 (13). 134709pp. doi:10.1063/1.3698486
	Deb, Debabrata, Winkler, Alexander, Virnau, Peter, Binder, Kurt (2012) Simulation of fluid-solid coexistence in finite volumes: A method to study the properties of wall-attached crystalline nuclei. The Journal of Chemical Physics, 136 (13). 134710pp. doi:10.1063/1.3699981
	Hua, Jing, Mitra, Mithun K., Muthukumar, M. (2012) Theory of volume transition in polyelectrolyte gels with charge regularization. The Journal of Chemical Physics, 136 (13). 134901pp. doi:10.1063/1.3698168
	*Xiong, Zhimin, Han, Charles C., Liao, Qi (2012) Computer simulation of linkage of two ring chains. The Journal of Chemical Physics, 136 (13). 134902pp. doi:10.1063/1.3699980*
	Sirk, Timothy W., Slizoberg, Yelena R., Brennan, John K., Lisal, Martin, Andzelm, Jan W. (2012) An enhanced entangled polymer model for dissipative particle dynamics. The Journal of Chemical Physics, 136 (13). 134903pp. doi:10.1063/1.3698476
	Larobina, Domenico, Greco, Francesco (2012) Prediction of the effects of constitutive viscoelasticity on stress-diffusion coupling in gels. The Journal of Chemical Physics, 136 (13). 134904pp. doi:10.1063/1.3699978
	*Mahalik, J. P., Muthukumar, M. (2012) Langevin dynamics simulation of polymer-assisted virus-like assembly. The Journal of Chemical Physics, 136 (13). 135101pp. doi:10.1063/1.3698408*
	Xu, Zhijun, Lazim, Raudah, Sun, Tiedong, Mei, Ye, Zhang, Dawei (2012) Solvent effect on the folding dynamics and structure of E6-associated protein characterized from ab initio protein folding simulations. The Journal of Chemical Physics, 136 (13). 135102pp. doi:10.1063/1.3698164
	Plazanet, Marie, Schober, Helmut, Angell, C. Austen (2012) Note: Anharmonicity of quasi-lattice modes in glass and super-fragile liquid states of decahydroisoqinoline: C9H17N. The Journal of Chemical Physics, 136 (13). 136101pp. doi:10.1063/1.3698167
	*Santos, Andrés (2012) Note: An exact scaling relation for truncatable free energies of polydisperse hard-sphere mixtures. The Journal of Chemical Physics, 136 (13). 136102pp. doi:10.1063/1.3702439*
	Groot, Robert D. (2012) Publisher's Note: “How to impose stick boundary conditions in coarse-grained hydrodynamics of Brownian colloids and semi-flexible fiber rheology” [J. Chem. Phys. 136, 064901 (2012)]. The Journal of Chemical Physics, 136 (13). 139901pp. doi:10.1063/1.3703068

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(2012, April) The Journal of Chemical Physics Vol. 136 (13) AIP Publishing

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