Structure of the hydrated Ca2+ and Cl-: Combined X-ray absorption measurements and QM/MM MD simulations study (English)
- New search for: Tongraar, A.
- New search for: T-Thienprasert, J.
- New search for: Rujirawat, S.
- New search for: Limpijumnong, S.
- New search for: Tongraar, A.
- New search for: T-Thienprasert, J.
- New search for: Rujirawat, S.
- New search for: Limpijumnong, S.
In:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS -CAMBRIDGE- ROYAL SOCIETY OF CHEMISTRY
;
12
, 36
;
10876-10887
;
2010
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ISSN:
- Article (Journal) / Print
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Title:Structure of the hydrated Ca2+ and Cl-: Combined X-ray absorption measurements and QM/MM MD simulations study
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Contributors:Tongraar, A. ( author ) / T-Thienprasert, J. ( author ) / Rujirawat, S. ( author ) / Limpijumnong, S. ( author )
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Published in:PHYSICAL CHEMISTRY CHEMICAL PHYSICS -CAMBRIDGE- ROYAL SOCIETY OF CHEMISTRY ; 12, 36 ; 10876-10887
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Publisher:
- New search for: Royal Society of Chemistry
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Publication date:2010-01-01
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Size:12 pages
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ISSN:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 541.3
- Further information on Dewey Decimal Classification
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Classification:
DDC: 541.3 -
Source:
© Metadata Copyright the British Library Board and other contributors. All rights reserved.
Table of contents – Volume 12, Issue 36
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.
- 10637
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Front cover| 2010
- 10638
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Inside front cover| 2010
- 10639
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Contents| 2010
- 10660
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State-to-state inelastic scattering of Stark-decelerated OH radicals with Ar atomsScharfenberg, Ludwig / Kłos, Jacek / Dagdigian, Paul J. / Alexander, Millard H. / Meijer, Gerard / van de Meerakker, Sebastiaan Y. T. et al. | 2010
- 10671
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Properties of non-IPR fullerene films versus size of the building blocksLöffler, Daniel / Ulas, Seyithan / Jester, Stefan-Sven / Weis, Patrick / Böttcher, Artur / Kappes, Manfred M. et al. | 2010
- 10685
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A spiro-configured ambipolar host material for impressively efficient single-layer green electrophosphorescent devicesHung, Wen-Yi / Wang, Ting-Chih / Chiu, Hao-Chih / Chen, Hsiao-Fan / Wong, Ken-Tsung et al. | 2010
- 10688
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Mapping of the organization of p-nitroaniline in SAPO-5 by second-harmonic generation microscopyvan der Veen, Monique A. / Van Noyen, Jasper / Sels, Bert F. / Jacobs, Pierre A. / Verbiest, Thierry / De Vos, Dirk E. et al. | 2010
- 10693
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The influence of concentration on the molecular surface structure of simple and mixed aqueous electrolytesOttosson, Nikla / Heyda, Jan / Wernersson, Erik / Pokapanich, Wandared / Svensson, Svante / Winter, Bernd / Öhrwall, Gunnar / Jungwirth, Pavel / Björneholm, Olle et al. | 2010
- 10701
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Activated carbon immersed in water—the origin of linear correlation between enthalpy of immersion and oxygen content studied by molecular dynamics simulationTerzyk, Artur P. / Gauden, Piotr A. / Furmaniak, Sylwester / Wesołowski, Radosław P. / Kowalczyk, Piotr et al. | 2010
- 10714
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Intramolecular competition in the photodissociation of C3D3 radicals at 248 and 193 nmCastiglioni, Luca / Vukovic, Sinisa / Crider, Paul E. / Lester, William A. / Neumark, Daniel M. et al. | 2010
- 10723
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O2 adsorption and dissociation on neutral, positively and negatively charged Aun (nRoldán, Alberto et al. | 2010
- 10723
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O2 adsorption and dissociation on neutral, positively and negatively charged Aun (n = 5–79) clustersRoldán, Alberto / Ricart, Josep Manel / Illas, Francesc / Pacchioni, Gianfranco et al. | 2010
- 10730
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Tuning structural forces between silica surfaces by temperature-induced micellization of responsive block copolymersThormann, Esben / Claesson, Per M. / Mouritsen, Ole G. et al. | 2010
- 10736
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Uracil anion radical in aqueous solution: thermodynamics versus spectroscopyBrancato, Giuseppe / Rega, Nadia / Barone, Vincenzo et al. | 2010
- 10740
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Aromaticity of substituted fulvene derivatives: substituent-dependent ring currentsKrygowski, Tadeusz M. / Oziminski, Wojciech P. / Palusiak, Marcin / Fowler, Patrick W. / McKenzie, Andrew D. et al. | 2010
- 10746
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A laser flash photolysis and theoretical study of hydrogen abstraction from phenols by triplet α-naphthoflavonede Lucas, Nanci C. / Fraga, Helena S. / Cardoso, Cristiane P. / Corrêa, Rodrigo J. / Garden, Simon J. / Netto-Ferreira, J. C. et al. | 2010
- 10746
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A laser flash photolysis and theoretical study of hydrogen abstraction from phenols by triplet a-naphthoflavonedeLucas, N. / Fraga, H. / Cardoso, C. / Correa, R. / Garden, S. / Netto-Ferreira, J. C. et al. | 2010
- 10754
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Experimental structure determination of the chemisorbed overlayers of chlorine and iodine on Au{111}Zheleva, Zhasmina V. / Dhanak, Vinod R. / Held, Georg et al. | 2010
- 10759
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Density functional triple jumpingDeng, Jia / Gilbert, Andrew T. B. / Gill, Peter M. W. et al. | 2010
- 10766
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Heterogeneous reactions of surface-adsorbed catechol with nitrogen dioxide: substrate effects for tropospheric aerosol surrogatesWoodill, Laurie A. / Hinrichs, Ryan Z. et al. | 2010
- 10775
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Nanoparticle-nanotube electrostatic interactions in solution: the effect of pH and ionic strengthRance, Graham A. / Khlobystov, Andrei N. et al. | 2010
- 10781
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Surface-enhanced Raman spectroscopy with self-assembled cobalt nanoparticle chains: Comparison of theory and experimentYin, Peng-Gang / Jiang, Li / You, Ting-Ting / Zhou, Wei / Li, Lidong / Guo, Lin / Yang, Shihe et al. | 2010
- 10786
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Thermal activation of mass transport and charge transfer at Pt in the I3−/I− electrolyte of a dye-sensitized solar cellPetrocco, A. / Liberatore, M. / Carlo, A. Di / Reale, A. / Brown, T. M. / Decker, F. et al. | 2010
- 10793
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Electromagnetic simulations of microwave heating experiments using reaction vessels made out of silicon carbideRobinson, John / Kingman, Sam / Irvine, Derek / Licence, Peter / Smith, Alastair / Dimitrakis, Georgio / Obermayer, David / Kappe, C. Oliver et al. | 2010
- 10801
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Hydration mechanisms of Cu2+: tetra-, penta- or hexa-coordinated?Liu, Xiandong / Lu, Xiancai / Jan Meijer, Evert / Wang, Rucheng et al. | 2010
- 10805
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Spin transport properties of 3d transition metal(ii) phthalocyanines in contact with single-walled carbon nanotube electrodesShen, Xin / Sun, Lili / Yi, Zelong / Benassi, Enrico / Zhang, Ruoxing / Shen, Ziyong / Sanvito, Stefano / Hou, Shimin et al. | 2010
- 10812
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Valence electronic properties of porphyrin derivativesStenuit, G. / Castellarin-Cudia, C. / Plekan, O. / Feyer, V. / Prince, K. C. / Goldoni, A. / Umari, P. et al. | 2010
- 10818
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IR low-temperature matrix, X-ray and ab initio study on l-isoserine conformationsDobrowolski, Jan Cz. / Jamróz, Michał H. / Kołos, Robert / Rode, Joanna E. / Cyrański, Michał K. / Sadlej, Joanna et al. | 2010
- 10831
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Phase transitions in nanoconfined binary mixtures of highly oriented colloidal rodsHeras, Daniel de la / Martínez-Ratón, Yuri / Velasco, Enrique et al. | 2010
- 10842
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The role of mass transport pathway in wormholelike mesoporous carbon for supercapacitorsLiang, Yeru / Liang, Fengxue / Li, Zhenghui / Wu, Dingcai / Yan, Fangyu / Li, Siyu / Fu, Ruowen et al. | 2010
- 10846
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Computational study of oxygen atom (3P and 1D) reactions with CF3CNSun, Jingyu / Tang, Yizhen / Jia, Xiujuan / Wang, Fang / Sun, Hao / Zhang, Yunju / Tang, ShuWei / Wang, Fengdi / Chang, Yingfei / Lu, Yongji et al. | 2010
- 10857
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Insights into the roles of organic coating in tuning the defect chemistry of monodisperse TiO2 nanocrystals for tailored propertiesLi, Liping / Li, Guangshe / Xu, Jiaoxing / Zheng, Jing / Tong, Wenming / Hu, Wanbiao et al. | 2010
- 10865
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Photochemistry of carbon monoxide and methanol in water and nitric acid hydrate ices: A NEXAFS studyLaffon, C. / Lasne, J. / Bournel, F. / Schulte, K. / Lacombe, S. / Parent, Ph. et al. | 2010
- 10871
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Growth of CdS nanoparticles on the aligned carbon nanotubesOkotrub, A. V. / Asanov, I. P. / Larionov, S. V. / Kudashov, A. G. / Leonova, T. G. / Bulusheva, L. G. et al. | 2010
- 10876
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Structure of the hydrated Ca2+ and Cl−: Combined X-ray absorption measurements and QM/MM MD simulations studyTongraar, Anan / T-Thienprasert, Jiraroj / Rujirawat, Saroj / Limpijumnong, Sukit et al. | 2010
- 10888
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Temperature effects on CO adsorption/desorption at Pt film electrodes: an electrochemical in situ infrared spectroscopic studyGeng, Bin / Cai, Jun / Liang, Sangzi / Liu, Shao Xiong / Li, Ming Fang / Chen, Yan-Xia et al. | 2010
- 10896
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Structural and hygroscopic changes of soot during heterogeneous reaction with O3Liu, Yongchun / Liu, Chang / Ma, Jinzhu / Ma, Qingxin / He, Hong et al. | 2010
- 10904
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The osmotic framework adsorbed solution theory: predicting mixture coadsorption in flexible nanoporous materialsCoudert, François-Xavier et al. | 2010
- 10914
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Chemisorption-induced gap state at organic–metal interface: Benzenethiol on Pt(111)Masuda, Shigeru / Kamada, Toyohiro / Sasaki, Keita / Aokia, Masaru / Morikawa, Yoshitada et al. | 2010
- 10919
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Breaking the passivation—the road to a solvent free borohydride synthesisFriedrichs, O. / Remhof, A. / Borgschulte, A. / Buchter, F. / Orimo, S. I. / Züttel, A. et al. | 2010
- 10923
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Fluorescence properties of pyrene derivative aggregates formed in polymer matrix depending on concentrationIto, Fuyuki / Kakiuchi, Toshifumi / Sakano, Takeshi / Nagamura, Toshihiko et al. | 2010
- 10928
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Electron transport in high-resistance semiconductor nanowires through two-probe measurementsLin, Yen-Fu / Chen, Tzu-Han / Chang, Chia-Hung / Chang, Yu-Wei / Chiu, Yi-Cheng / Hung, Hsiang-Chih / Kai, Ji-Jung / Liu, Zhaoping / Fang, Jiye / Jian, Wen-Bin et al. | 2010
- 10933
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Spectroscopic CW-EPR and HYSCORE investigations of Cu2+ and O2− species in copper doped nanoporous calcium aluminate (12CaO·7Al2O3)Maurelli, Sara / Ruszak, Monika / Witkowski, Stefan / Pietrzyk, Piotr / Chiesa, Mario / Sojka, Zbigniew et al. | 2010
- 10942
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Influence of dopants Ti and Ni on bonding interactions and dehydrogenation properties of lithium alanateSong, Y. / Dai, J. H. / Liang, X. M. / Yang, R. et al. | 2010
- 10950
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Effect of the surface oxidation of LiBH4 on the hydrogen desorption mechanismKato, Shunsuke / Bielmann, Michael / Borgschulte, Andrea / Zakaznova-Herzog, Valentina / Remhof, Arndt / Orimo, Shin-ichi / Züttel, Andrea et al. | 2010
- 10956
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Zinc (0) chemistry: does the missing 18-electron zinc tricarbonyl really exist?Jin, Lin / Fu, Li-juan / Ding, Yi-hong et al. | 2010
- 10963
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Insights into the structure and stability of the carbonic acid dimerMurillo, Juliana / David, Jorge / Restrepo, Albeiro et al. | 2010
- 10971
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Vacuum-UV negative photoion spectroscopy of CH3F, CH3Cl and CH3BrRogers, Nicola J. / Simpson, Matthew J. / Tuckett, Richard P. / Dunn, Ken F. / Latimer, Colin J. et al. | 2010
- 10981
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Single-molecule force spectroscopy of supramolecular heterodimeric capsulesSchröder, Tobia / Geisler, Thoma / Walhorn, Volker / Schnatwinkel, Björn / Anselmetti, Dario / Mattay, Jochen et al. | 2010
- 10988
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Kinetics of thermoneutral intermolecular hydrogen migration in alkyl radicalsRatkiewicz, Artur / Bankiewicz, Barbara / Truong, Thanh N. et al. | 2010
- 10996
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Facile synthesis of highly stable and well-dispersed mesoporous ZrO2/carbon composites with high performance in oxidative dehydrogenation of ethylbenzeneLi, Qiang / Xu, Jie / Wu, Zhangxiong / Feng, Dan / Yang, Jianping / Wei, Jing / Wu, Qingling / Tu, Bo / Cao, Yong / Zhao, Dongyuan et al. | 2010
- 11004
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Fluorescence correlation spectroscopy reveals strong fluorescence quenching of FITC adducts on PEGylated gold nanoparticles in water and the presence of fluorescent aggregates of desorbed thiolate ligandsLoumaigne, Matthieu / Praho, Raïssa / Nutarelli, Daniele / Werts, Martinus H. V. / Débarre, Anne et al. | 2010
- 11015
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Redox behavior of small metal clusters with respect to hydrogen. The effect of the cluster charge from density functional resultsPetrova, Galina P. / Vayssilov, Georgi N. / Rösch, Notker et al. | 2010
- 11021
-
Formation and structure of the potassium complex of valinomycin in solution studied by Raman optical activity spectroscopyYamamoto, Shigeki / Straka, Michal / Watarai, Hitoshi / Bouř, Petr et al. | 2010
- 11033
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Adsorption of glycine on the anatase (101) surface: an ab initio studySzieberth, Déne / Maria Ferrari, Anna / Dong, Xin et al. | 2010
- 11041
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Nanometric thin polymeric films based on molecularly imprinted technology: towards electrochemical sensing applicationsGinzburg-Turgeman, Roni / Mandler, Daniel et al. | 2010
- 11051
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The thermal isomerization of the GFP chromophore: A computational studyWang, Dongqi / Merz, Thoma / van Gunsteren, Wilfred F. et al. | 2010
- 11062
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Role of the reagents consumption in the chaotic dynamics of the Belousov–Zhabotinsky oscillator in closed unstirred reactorsMarchettini, Nadia / Antonio Budroni, Marcello / Rossi, Federico / Masia, Marco / Liria Turco Liveri, Maria / Rustici, Mauro et al. | 2010
- 11070
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Influence of the aliphatic chain length of imidazolium based ionic liquids on the surface structureHammer, Tobia / Reichelt, Manuela / Morgner, Harald et al. | 2010
- 11081
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Atomistic details of the associative phosphodiester cleavage in human ribonuclease HElsässer, Brigitta / Fels, Gregor et al. | 2010
- 11089
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BTP-based ligands and their complexes with Eu3+ at “oil”/water interfaces. A molecular dynamics studyBenay, G. / Schurhammer, R. / Wipff, G. et al. | 2010
- 11103
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Density-functional based determination of intermolecular charge transfer properties for large-scale morphologiesBaumeier, Björn / Kirkpatrick, Jame / Andrienko, Deni et al. | 2010
- 11114
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Engineering disorder in precipitation-based nano-scaled metal oxide thin filmsRupp, Jennifer L. M. / Scherrer, Barbara / Gauckler, Ludwig J. et al. | 2010
- 11125
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Double layer in room temperature ionic liquids: influence of temperature and ionic size on the differential capacitance and electrocapillary curvesCosta, Renata / Pereira, Carlos M. / Silva, Fernando et al. | 2010
- 11133
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Torsion–rotation coupling and the determination of the torsional potential energy function of HSOHRoss, Stephen C. / Yamada, Koichi M. T. / Ito, Fumiyuki et al. | 2010
- 11151
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Back cover| 2010