Polarization and charge transfer in the hydration of chloride ions (English)
National licence
- New search for: Zhao, Zhen
- New search for: Rogers, David M.
- New search for: Beck, Thomas L.
- New search for: Zhao, Zhen
- New search for: Rogers, David M.
- New search for: Beck, Thomas L.
In:
The Journal of Chemical Physics
;
132
, 1
;
014502-
;
2010
- Article (Journal) / Electronic Resource
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Title:Polarization and charge transfer in the hydration of chloride ions
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Contributors:
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Published in:The Journal of Chemical Physics ; 132, 1 ; 014502-
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Publisher:
- New search for: American Institute of Physics
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Publication date:2010-01-07
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Size:10 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 132, Issue 1
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.
- 011101
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Communications: The structure of Rh8+ in the gas phaseHarding, D. J. / Walsh, T. R. / Hamilton, S. M. / Hopkins, W. S. / Mackenzie, S. R. / Gruene, P. / Haertelt, M. / Meijer, G. / Fielicke, A. et al. | 2010
- 014101
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Direct mapping between exchange potentials of Hartree–Fock and Kohn–Sham schemes as origin of orbital proximityCinal, M. et al. | 2010
- 014102
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Condensation transition in polydisperse hard rodsEvans, M. R. / Majumdar, S. N. / Pagonabarraga, I. / Trizac, E. et al. | 2010
- 014103
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Limitations and recommendations for the calculation of shear viscosity using reverse nonequilibrium molecular dynamicsTenney, Craig M. / Maginn, Edward J. et al. | 2010
- 014104
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Cage effect dynamicsKhudyakov, Igor / Zharikov, Anatoly A. / Burshtein, Anatoly I. et al. | 2010
- 014105
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A quantitative assessment of the accuracy of centroid molecular dynamics for the calculation of the infrared spectrum of liquid waterPaesani, Francesco / Voth, Gregory A. et al. | 2010
- 014106
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Interacting electrons, spin statistics, and information theoryGhiringhelli, L. M. / Hamilton, I. P. / Delle Site, L. et al. | 2010
- 014107
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Theoretical and experimental studies of stressed nanoparticles of II-VI semiconductorsFerreira, D. Lourenc¸oni / Silva, F. Oliveira / Viol, L. Cristina de Souza / Lici´nio, P. / Schiavon, M. Antoˆnio / Alves, J. Luiz Aarestrup et al. | 2010
- 014108
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Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiHKnecht, Stefan / Jensen, Hans Jo&slash;rgen Aa. / Fleig, Timo et al. | 2010
- 014109
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Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalismLandau, Arie / Khistyaev, Kirill / Dolgikh, Stanislav / Krylov, Anna I. et al. | 2010
- 014110
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Van der Waals density functional from multipole dispersion interactionsAlves de Lima, Neemias et al. | 2010
- 014111
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Optimal modeling of atomic fluctuations in protein crystal structures for weak crystal contact interactionsHafner, Jeffrey / Zheng, Wenjun et al. | 2010
- 014112
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Quantum trajectory dynamics in imaginary time with the momentum-dependent quantum potentialGarashchuk, Sophya et al. | 2010
- 014301
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Specific formation of negative ions from leucine and isoleucine moleculesPapp, Peter / Shchukin, Pavel / Matejcˇi´k, Sˇtefan et al. | 2010
- 014302
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Quantum dynamics of the H+O2→O+OH reactionQue´me´ner, Goulven / Kendrick, Brian K. / Balakrishnan, N. et al. | 2010
- 014303
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Exact quantum scattering study of the Ne+H2+ reaction on a new ab initio potential energy surfaceLv, Shuang-Jiang / Zhang, Pei-Yu / Han, Ke-Li / He, Guo-Zhong et al. | 2010
- 014304
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Spectrum and infrared intensities of OH-stretching bands of water dimersKuyanov-Prozument, Kirill / Choi, Myong Yong / Vilesov, Andrey F. et al. | 2010
- 014305
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Photodissociation dynamics of benzoic acidDyakov, Yuri A. / Bagchi, Arnab / Lee, Yuan T. / Ni, Chi-Kung et al. | 2010
- 014306
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Spin-orbit ab initio investigation of photolysis of o-, m-, and p-iodotolueneLiu, Ya-Jun / Tian, Yan-Cong / Fang, Wei-Hai et al. | 2010
- 014307
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Quantum gate operations using midinfrared binary shaped pulses on the rovibrational states of carbon monoxideZaari, Ryan R. / Brown, Alex et al. | 2010
- 014308
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First observation of a tetra-anionic metal cluster, Aln4−Walsh, N. / Martinez, F. / Marx, G. / Schweikhard, L. / Ziegler, F. et al. | 2010
- 014309
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A second generation distributed point polarizable water modelKumar, Revati / Wang, Fang-Fang / Jenness, Glen R. / Jordan, Kenneth D. et al. | 2010
- 014310
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Molecular dynamics simulations of adsorption and diffusion of gases in silicon-carbide nanotubesMalek, Kourosh / Sahimi, Muhammad et al. | 2010
- 014311
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Triple ionization spectra by coincidence measurements of double Auger decay: The case of OCSEland, J. H. D. / Hochlaf, M. / Linusson, P. / Andersson, E. / Hedin, L. / Feifel, R. et al. | 2010
- 014501
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Efficient and accurate simulations of two-dimensional electronic photon-echo signals: Illustration for a simple model of the Fenna–Matthews–Olson complexSharp, Leah Z. / Egorova, Dassia / Domcke, Wolfgang et al. | 2010
- 014502
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Polarization and charge transfer in the hydration of chloride ionsZhao, Zhen / Rogers, David M. / Beck, Thomas L. et al. | 2010
- 014503
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Short-time dynamics of permeable particles in concentrated suspensionsAbade, Gustavo C. / Cichocki, Bogdan / Ekiel-Jez˙ewska, Maria L. / Na¨gele, Gerhard / Wajnryb, Eligiusz et al. | 2010
- 014504
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Transition times in the low-noise limit of stochastic dynamicsMalinin, Sergey V. / Chernyak, Vladimir Y. et al. | 2010
- 014505
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Quasichemical and structural analysis of polarizable anion hydrationRogers, David M. / Beck, Thomas L. et al. | 2010
- 014506
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Hydrogen bonded network properties in liquid formamideBako´, Imre / Megyes, Tu¨nde / Ba´lint, Szabolcs / Chihaia, Viorel / Bellissent-Funel, Marie-Claire / Krienke, Hartmut / Kopf, Andreas / Suh, Soong-Hyuck et al. | 2010
- 014507
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Vibrational energy transfer in shocked molecular crystalsHooper, Joe et al. | 2010
- 014508
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The glass transition and relaxation behavior of bulk water and a possible relation to confined waterSwenson, Jan / Teixeira, Jose´ et al. | 2010
- 014701
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The surface tension of TIP4P/2005 water model using the Ewald sums for the dispersion interactionsAlejandre, Jose´ / Chapela, Gustavo A. et al. | 2010
- 014702
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Properties of aging FeCl2 clusters grown in supercritical water investigated by molecular dynamics simulationsLu¨mmen, Norbert / Kvamme, Bjo&slash;rn et al. | 2010
- 014703
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Langmuir monolayers with internal dipoles: Understanding phase behavior using Monte Carlo simulationsGeorge, Christopher B. / Ratner, Mark A. / Szleifer, Igal et al. | 2010
- 014704
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Reactive force fields for surface chemical reactions: A case study with hydrogen dissociation on Pd surfacesXiao, Y. / Dong, W. / Busnengo, H. F. et al. | 2010
- 014901
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Phase behavior of repulsive polymer-tethered colloidsBozorgui, Behnaz / Sen, Maya / Miller, William L. / Pa`mies, Josep C. / Cacciuto, Angelo et al. | 2010
- 014902
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Simulations of two-dimensional unbiased polymer translocation using the bond fluctuation modelPanja, Debabrata / Barkema, Gerard T. et al. | 2010
- 014903
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Charge renormalization of nanoparticles immersed in a molecular electrolyteArenas-Go´mez, B. L. / Gonza´lez-Mozuelos, P. et al. | 2010
- 014904
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Tension thickening, molecular shape, and flow birefringence of an H-shaped polymer melt in steady shear and planar extensionBaig, Chunggi / Mavrantzas, Vlasis G. et al. | 2010
- 015101
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Nanoindentation of virus capsids in a molecular modelCieplak, Marek / Robbins, Mark O. et al. | 2010
- 017101
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Comment on “Brillouin scattering studies of liquid argon at high temperatures and high pressures” [J. Chem. Phys. 129, 154503 (2008)]Datchi, Fre´de´ric et al. | 2010
- 017102
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Response to “Comment on ‘Brillouin scattering studies of liquid argon at high temperatures and high pressures’” [J. Chem. Phys. 132, 017101 (2010)]Li, Fangfei / Zhou, Qiang et al. | 2010
- 017103
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Comment on “Heavy (or large) ions in a fluid in an electric field: The diffusion equation exactly following from the Fokker–Planck equation” [J. Chem. Phys. 129, 044903 (2008)]Naqvi, K. Razi et al. | 2010
- 017104
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Response to “Comment on ‘Heavy (or large) ions in a fluid in an electric field: The diffusion equation exactly following from the Fokker–Planck equation’ ” [J. Chem. Phys. 132, 017103 (2010)]Ferrari, Leonardo et al. | 2010
- 019901
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Erratum: “Solid-liquid phase equilibria of the Gaussian core model fluid” [J. Chem. Phys. 131, 184507 (2009)]Mausbach, Peter / Ahmed, Alauddin / Sadus, Richard J. et al. | 2010