Structural and dynamical properties of ionic liquids: The influence of ion size disparity (English)
National licence
- New search for: Spohr, H. V.
- New search for: Patey, G. N.
- New search for: Spohr, H. V.
- New search for: Patey, G. N.
In:
The Journal of Chemical Physics
;
129
, 6
;
064517-
;
2008
- Article (Journal) / Electronic Resource
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Title:Structural and dynamical properties of ionic liquids: The influence of ion size disparity
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Contributors:Spohr, H. V. ( author ) / Patey, G. N. ( author )
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Published in:The Journal of Chemical Physics ; 129, 6 ; 064517-
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Publisher:
- New search for: American Institute of Physics
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Publication date:2008-08-14
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Size:8 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 129, Issue 6
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 061101
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Phase-separation transition in liquid mixtures near curved charged objectsMarcus, Gilad / Samin, Sela / Tsori, Yoav et al. | 2008
- 64101
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Reappraisal of emph TYPE="1">cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approachChaudhuri, Rajat K. et al. | 2008
- 064101
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Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approachChaudhuri, Rajat K. / Hammond, Jeff R. / Freed, Karl F. / Chattopadhyay, Sudip / Mahapatra, Uttam Sinha et al. | 2008
- 064102
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A gradient-directed Monte Carlo approach to molecular designHu, Xiangqian / Beratan, David N. / Yang, Weitao et al. | 2008
- 064103
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Monte Carlo configuration interaction predictions for the electronic spectra of Ne, CH2, C2, N2, and H2O compared to full configuration interaction calculationsGyo˝rffy, W. / Bartlett, R. J. / Greer, J. C. et al. | 2008
- 064104
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The spin-flip extended single excitation configuration interaction methodCasanova, David / Head-Gordon, Martin et al. | 2008
- 064105
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Adiabatic connection forms in density functional theory: H2 and the He isoelectronic seriesPeach, Michael J. G. / Miller, Adam M. / Teale, Andrew M. / Tozer, David J. et al. | 2008
- 064106
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On a partial differential equation method for determining the free energies and coexisting phase compositions of ternary mixtures from light scattering dataRoss, David S. / Thurston, George M. / Lutzer, Carl V. et al. | 2008
- 064107
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Building Markov state models along pathways to determine free energies and rates of transitionsPan, Albert C. / Roux, Benoı⁁t et al. | 2008
- 64108
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Developing emph TYPE="1">ab initio quality force fields from condensed phase quantum-mechanics-molecular-mechanics calculations through the adaptive force matching methodAkin-Ojo, Omololu et al. | 2008
- 064108
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Developing ab initio quality force fields from condensed phase quantum-mechanics/molecular-mechanics calculations through the adaptive force matching methodAkin-Ojo, Omololu / Song, Yang / Wang, Feng et al. | 2008
- 064109
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Density functional restricted-unrestricted approach for nonlinear properties: Application to electron paramagnetic resonance parameters of square planar copper complexesRinkevicius, Zilvinas / de Almeida, Katia Julia / Vahtras, Olav et al. | 2008
- 064110
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Path integral calculation of free energies: Quantum effects on the melting temperature of neonRami´rez, R. / Herrero, C. P. / Antonelli, A. / Herna´ndez, E. R. et al. | 2008
- 064111
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Optimization of augmentation functions for correlated calculations of spin-spin coupling constants and related propertiesBenedikt, Udo / Auer, Alexander A. / Jensen, Frank et al. | 2008
- 064112
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Restoring the size consistency of multireference configuration interactions through class dressings: Applications to ground and excited statesBen Amor, Nadia / Maynau, Daniel / Malrieu, Jean-Paul / Monari, Antonio et al. | 2008
- 064113
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Closed-shell coupled-cluster theory with spin-orbit couplingWang, Fan / Gauss, Ju¨rgen / van Wu¨llen, Christoph et al. | 2008
- 064114
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Molecular-orbital-free algorithm for excited states in time-dependent perturbation theoryLucero, Melissa J. / Niklasson, Anders M. N. / Tretiak, Sergei / Challacombe, Matt et al. | 2008
- 064115
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Dihydrogen bond cooperativity in (HCCBeH)n clustersAlkorta, Ibon / Elguero, Jose´ / Solimannejad, Mohammad et al. | 2008
- 064116
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Perturbative calculation of Franck–Condon integrals: New hints for a rational implementationBorrelli, Raffaele / Peluso, Andrea et al. | 2008
- 064117
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Dual descriptors within the framework of spin-polarized density functional theoryChamorro, E. / Pe´rez, P. / Duque, M. / De Proft, F. / Geerlings, P. et al. | 2008
- 064118
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Algorithmic dimensionality reduction for molecular structure analysisBrown, W. Michael / Martin, Shawn / Pollock, Sara N. / Coutsias, Evangelos A. / Watson, Jean-Paul et al. | 2008
- 064301
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Ab initio and direct dynamics study of the reaction of Cl atoms with HOCOYu, Hua-Gen / Francisco, Joseph S. / Muckerman, James T. et al. | 2008
- 64301
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emph TYPE="1">Ab initio and direct dynamics study of the reaction of Cl atoms with HOCOYu, Hua-Gen et al. | 2008
- 064302
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Calculation of the transport and relaxation properties of methane. I. Shear viscosity, viscomagnetic effects, and self-diffusionHellmann, Robert / Bich, Eckard / Vogel, Eckhard / Dickinson, Alan S. / Vesovic, Velisa et al. | 2008
- 064303
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Exact state-to-state quantum dynamics of the F+HD→HF(v′=2)+D reaction on model potential energy surfacesDe Fazio, Dario / Aquilanti, Vincenzo / Cavalli, Simonetta / Aguilar, Antonio / Lucas, Josep M. et al. | 2008
- 064304
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A simulation of the photoelectron spectrum of pyrazolideSchuurman, Michael S. / Yarkony, David R. et al. | 2008
- 064305
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Argon cluster-mediated isolation and vibrational spectra of peroxy and nominally D3h isomers of CO3− and NO3−Relph, Rachael A. / Bopp, Joseph C. / Johnson, Mark A. / Viggiano, A. A. et al. | 2008
- 064306
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Theoretical determination of rate constants for vibrational relaxation and reaction of OH(X 2Π,v=1) with O(3P) atomsKłos, Jacek A. / Lique, Franc¸ois / Alexander, Millard H. / Dagdigian, Paul J. et al. | 2008
- 064307
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Extracting the polarizability anisotropy from the transient alignment of HBrPinkham, D. / Vogt, T. / Jones, R. R. et al. | 2008
- 064308
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Negative ions of nitroethane and its clustersStokes, S. T. / Bowen, K. H. / Sommerfeld, T. / Ard, S. / Mirsaleh-Kohan, N. / Steill, J. D. / Compton, R. N. et al. | 2008
- 064309
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Calculations of static dipole polarizabilities of alkali dimers: Prospects for alignment of ultracold moleculesDeiglmayr, Johannes / Aymar, Mireille / Wester, Roland / Weidemu¨ller, Matthias / Dulieu, Olivier et al. | 2008
- 064310
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The structural and electronic properties of InnN(n=1–13) clustersZhang, Wen-Qing / Sun, Jian-Min / Zhao, Gao-Feng / Zhi, Li-Li et al. | 2008
- 064311
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Experimental and theoretical characterization of MSi16−, MGe16−,MSn16−, and MPb16− (M=Ti, Zr, and Hf): The role of cage aromaticityFuruse, Shunsuke / Koyasu, Kiichirou / Atobe, Junko / Nakajima, Atsushi et al. | 2008
- 64311
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Experimental and theoretical characterization of MSi16sup ARRANGE="STAGGER">-, MGe16sup ARRANGE="STAGGER">-,MSn16sup ARRANGE="STAGGER">-, and MPb16sup ARRANGE="STAGGER">- (M=Ti, Zr, and Hf): The role of cage aromaticityFuruse, Shunsuke et al. | 2008
- 064312
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Ion-pair dissociation of N2O in the 16.25–16.41 eV: Dynamics and electronic structureZhou, Chang / Mo, Yuxiang et al. | 2008
- 064313
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H2, HD, and D2 inside C60: Coupled translation-rotation eigenstates of the endohedral molecules from quantum five-dimensional calculationsXu, Minzhong / Sebastianelli, Francesco / Bacˇic´, Zlatko / Lawler, Ronald / Turro, Nicholas J. et al. | 2008
- 064314
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A computational study of metastable states of CO2+Mrugała, Felicja et al. | 2008
- 064315
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Full dimensional time-dependent quantum dynamics study of the H+NH3→H2+NH2 reactionYang, Minghui et al. | 2008
- 064316
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Variational and diffusion Monte Carlo study of post-d group 13–17 elementsAl-Saidi, W. A. et al. | 2008
- 064501
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Nitroxide spin exchange due to re-encounter collisions in a series of n-alkanesKurban, Mark R. / Peric, Miroslav / Bales, Barney L. et al. | 2008
- 064502
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2D calculation of anharmonic OH vibrations in a layered hydroxide crystalGajewski, Grzegorz / Mitev, Pavlin D. / Hermansson, Kersti et al. | 2008
- 064503
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Isotope effects in liquid water by infrared spectroscopy. II. Factor analysis of the temperature effect on H2O and D2OLarouche, Pascal / Max, Jean-Joseph / Chapados, Camille et al. | 2008
- 064504
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Parallels between multiple population-period transient spectroscopy and multidimensional coherence spectroscopiesKhurmi, Champak / Berg, Mark A. et al. | 2008
- 064505
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Study of spatial correlations in a supercooled molecular systemPalomar, Ricardo / Sese´, Gemma et al. | 2008
- 064506
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Rotational dynamics and polymerization of C60 in C60-cubane crystals: A molecular dynamics studyColuci, V. R. / Sato, F. / Braga, S. F. / Skaf, M. S. / Galva˜o, D. S. et al. | 2008
- 064507
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Origin of negative and dispersive features in anti-Stokes and resonance femtosecond stimulated Raman spectroscopyFrontiera, Renee R. / Shim, Sangdeok / Mathies, Richard A. et al. | 2008
- 064508
-
Chemical short-range order in liquid Al–Ni alloysEgry, Ivan / Hennet, Louis / Kehr, Mirko / Mathiak, Gerhard / De Panfilis, Simone / Pozdnyakova, Irina / Zanghi, Didier et al. | 2008
- 064509
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Orientational correlations in molecular liquid SnI4Pusztai, La´szlo´ / Pothoczki, Szilvia / Kohara, Shinji et al. | 2008
- 064510
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Continuum percolation of long lifespan clusters in a simple fluidPugnaloni, Luis A. / Carlevaro, Carlos M. / Valluzzi, Marcos G. / Vericat, Fernando et al. | 2008
- 064511
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Water/polymer interactions in poly(amidoamine) hydrogels by 1H nuclear magnetic resonance relaxation and magnetization transferCalucci, Lucia / Forte, Claudia / Ranucci, Elisabetta et al. | 2008
- 064512
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Quasibinary amorphous phase in a three-dimensional system of particles with repulsive-shoulder interactionsFomin, Yu. D. / Gribova, N. V. / Ryzhov, V. N. / Stishov, S. M. / Frenkel, Daan et al. | 2008
- 064513
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Polarization and interactions of colloidal particles in ac electric fieldsMittal, Manish / Lele, Pushkar P. / Kaler, Eric W. / Furst, Eric M. et al. | 2008
- 064514
-
Femtosecond spectroscopy of solvated electrons from sodium-ammonia-d3 solutions: Temperature jump versus local density jumpLindner, Jo¨rg / Unterreiner, Andreas-N. / Vo¨hringer, Peter et al. | 2008
- 064515
-
Semiclassical initial value series representation in the continuum limit: Application to vibrational relaxationMoix, Jeremy M. / Pollak, Eli et al. | 2008
- 064516
-
Relaxation rate and scaling function of the critical system 3-methylpentane-nitroethane-cyclohexaneIwanowski, I. / Mirzaev, S. Z. / Kaatze, U. et al. | 2008
- 064517
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Structural and dynamical properties of ionic liquids: The influence of ion size disparitySpohr, H. V. / Patey, G. N. et al. | 2008
- 064701
-
Dielectric process of space-charge polarization for an electrolytic cell with blocking electrodesSawada, Atsushi et al. | 2008
- 064702
-
Transient hydroxyl formation from water on oxygen-covered Au(111)Quiller, R. G. / Baker, T. A. / Deng, X. / Colling, M. E. / Min, B. K. / Friend, C. M. et al. | 2008
- 064703
-
Quantum molecular dynamics study of water on TiO2(110) surfaceZhang, Wenhua / Yang, Jinlong / Luo, Yi / Monti, Susanna / Carravetta, Vincenzo et al. | 2008
- 064704
-
Oligo(vinylidene fluoride) Langmuir-Blodgett films studied by spectroscopic ellipsometry and the density functional theoryKorlacki, R. / Johnson, J. Travis / Kim, Jihee / Ducharme, Stephen / Thompson, Daniel W. / Fridkin, V. M. / Ge, Zhongxin / Takacs, James M. et al. | 2008
- 064705
-
Time dependent density functional theory study of the near-edge x-ray absorption fine structure of benzene in gas phase and on metal surfacesAsmuruf, Frans A. / Besley, Nicholas A. et al. | 2008
- 064706
-
Optimal design of nanoplasmonic materials using genetic algorithms as a multiparameter optimization toolYelk, Joseph / Sukharev, Maxim / Seideman, Tamar et al. | 2008
- 064707
-
Charge transfer in the TCNQ-sexithiophene complexBraun, K.-F. / Hla, S. W. et al. | 2008
- 064901
-
Interactions between polymer brushes in solvents of variable quality: A density functional theory studyEgorov, S. A. et al. | 2008
- 064902
-
Phase behaviors of polymer solutions using molecular simulation techniqueYang, Jung Ho / Bae, Young Chan et al. | 2008
- 065101
-
Cytoskeleton mediated effective elastic properties of model red blood cell membranesZhang, Rui / Brown, Frank L. H. et al. | 2008
- 065102
-
X-ray induced damage in DNA monitored by X-ray photoelectron spectroscopyPtasin´ska, Sylwia / Stypczyn´ska, Agnieszka / Nixon, Tony / Mason, Nigel J. / Klyachko, Dimitri V. / Sanche, Le´on et al. | 2008
- 065103
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Folding transition of a single semiflexible polyelectrolyte chain through toroidal bundling of loop structuresIwaki, Takafumi / Makita, Naoko / Yoshikawa, Kenichi et al. | 2008
- 066101
-
Revisiting the real space density functional theory of hard sphere freezing in the Percus–Yevick approximationVerma, Anurag / Ford, David M. et al. | 2008
- 066102
-
Reaction coordinate in electron transfer: What physical quantity should we use for it?Tachiya, M. et al. | 2008
- 067101
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Comment on: “On the reality of residual entropies of glasses and disordered crystals” [J. Chem. Phys. 128, 154510 (2008)]Gupta, Prabhat K. / Mauro, John C. et al. | 2008
- 67101
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Comment on: "On the reality of residual entropies of glasses and disordered crystals" [J. Chem. Phys. emph TYPE="3">128, 154510 (2008)]Gupta, Prabhat K. et al. | 2008
- 67102
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Response to "Comment on 'The reality of residual entropies of glasses and disordered crystals'" [J. Chem. Phys. emph TYPE="3">129, 067101 (2008)]Goldstein, Martin et al. | 2008
- 067102
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Response to “Comment on ‘The reality of residual entropies of glasses and disordered crystals’” [J. Chem. Phys. 129, 067101 (2008)]Goldstein, Martin et al. | 2008
- 069901
-
Erratum: “On mesh-based Ewald methods: Optimal parameters for two differentiation schemes” [J. Chem. Phys. 128, 214106 (2008)]Stern, Harry A. / Calkins, Keith G. et al. | 2008
- 69901
-
Erratum: "On mesh-based Ewald methods: Optimal parameters for two differentiation schemes" [J. Chem. Phys. emph TYPE="3">128, 214106 (2008)]Stern, Harry A. et al. | 2008