Promoting alkali and alkaline-earth metals on MgO for enhancing CO2 capture by first-principles calculations (Englisch)
- Neue Suche nach: Kim, Kiwoong
- Neue Suche nach: Han, Jeong-Woo
- Neue Suche nach: Lee, Kwang-Soon
- Neue Suche nach: Lee, Won-Bo
- Neue Suche nach: Kim, Kiwoong
- Neue Suche nach: Han, Jeong-Woo
- Neue Suche nach: Lee, Kwang-Soon
- Neue Suche nach: Lee, Won-Bo
In:
PCCP. Physical Chemistry Chemical Physics - An International Journal
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16
, 45
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24818-24823
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2014
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ISSN:
- Aufsatz (Zeitschrift) / Print
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Titel:Promoting alkali and alkaline-earth metals on MgO for enhancing CO2 capture by first-principles calculations
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Beteiligte:Kim, Kiwoong ( Autor:in ) / Han, Jeong-Woo ( Autor:in ) / Lee, Kwang-Soon ( Autor:in ) / Lee, Won-Bo ( Autor:in )
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Erschienen in:PCCP. Physical Chemistry Chemical Physics - An International Journal ; 16, 45 ; 24818-24823
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Verlag:
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Erscheinungsdatum:2014
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Format / Umfang:6 Seiten, 37 Quellen
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ISSN:
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Coden:
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DOI:
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Medientyp:Aufsatz (Zeitschrift)
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Format:Print
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Sprache:Englisch
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Schlagwörter:
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Datenquelle:
Inhaltsverzeichnis – Band 16, Ausgabe 45
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Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
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Front cover| 2014
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Inside front cover| 2014
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Contents list| 2014
- 24656
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Three-dimensional superdiffusive chemical waves in a precipitation systemAyass, M. M. / Lagzi, I. / Al-Ghoul, M. et al. | 2014
- 24661
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Interactions between halide anions and interfacial water molecules in relation to the Jones–Ray effectNguyen, Khoi Tan / Nguyen, Anh V. / Evans, Geoffrey M. et al. | 2014
- 24666
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Mediating relaxation and polarization of hydrogen-bonds in water by NaCl salting and heatingZhang, Xi / Yan, Tingting / Huang, Yongli / Ma, Zengsheng / Liu, Xinjuan / Zou, Bo / Sun, Chang Q. et al. | 2014
- 24672
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Spin mixing at level anti-crossings in the rotating frame makes high-field SABRE feasiblePravdivtsev, Andrey N. / Yurkovskaya, Alexandra V. / Vieth, Hans-Martin / Ivanov, Konstantin L. et al. | 2014
- 24676
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Photo-electrochemical communication between cyanobacteria (Leptolyngbia sp.) and osmium redox polymer modified electrodesHasan, Kamrul / Bekir Yildiz, Huseyin / Sperling, Eva / Ó Conghaile, Peter / Packer, Michael A. / Leech, Dónal / Hägerhäll, Cecilia / Gorton, Lo et al. | 2014
- 24681
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Charge storage properties of biopolymer electrodes with (sub)tropical ligninsAdmassie, Shimeli / Nilsson, Ting Yang / Inganäs, Olle et al. | 2014
- 24685
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Resolving the anomalous infrared spectrum of the MeCN–HCl molecular cluster using ab Initio molecular dynamicsBork, Nicolai / Loukonen, Ville / Kjaergaard, Henrik G. / Vehkamäki, Hanna et al. | 2014
- 24691
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Efficient organic–inorganic hybrid perovskite solar cells processed in airSeetharaman S, Madhu / Nagarjuna, Puvvala / Kumar, P. Naresh / Singh, Surya Prakash / Deepa, Melepurath / Namboothiry, Manoj A. G. et al. | 2014
- 24697
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Transport diffusivity of propane and propylene inside SWNTs from equilibrium molecular dynamics simulationsLiu, Hongjun et al. | 2014
- 24704
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Six-dimensional quantum dynamics for dissociative chemisorption of H2 and D2 on Ag(111) on a permutation invariant potential energy surfaceJiang, Bin / Guo, Hua et al. | 2014
- 24716
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Uniaxial tension-induced fracture in gold nanowires with the dependence on size and atomic vacanciesWang, Fenying / Dai, Yanfeng / Zhao, Jianwei / Li, Qianjin et al. | 2014
- 24727
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Random strain effects in optical and EPR spectra of electron-nuclear excitations in CaWO4:Ho3+ single crystalsShakurov, G. S. / Chukalina, E. P. / Popova, M. N. / Malkin, B. Z. / Tkachuk, A. M. et al. | 2014
- 24739
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Nanoantenna enhanced emission of light-harvesting complex 2: the role of resonance, polarization, and radiative and non-radiative ratesWientjes, Emilie / Renger, Jan / Curto, Alberto G. / Cogdell, Richard / van Hulst, Niek F. et al. | 2014
- 24747
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Surface sites on Pt–CeO2 mixed oxide catalysts probed by CO adsorption: a synchrotron radiation photoelectron spectroscopy studyNeitzel, Armin / Lykhach, Yaroslava / Skála, Tomáš / Tsud, Nataliya / Vorokhta, Mykhailo / Mazur, Daniel / Prince, Kevin C. / Matolín, Vladimír / Libuda, Jörg et al. | 2014
- 24755
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A cyclopenta[1,2-b:5,4-b′]dithiophene–porphyrin conjugate for mesoscopic solar cells: a D–π–D–A approachLu, Jianfeng / Zhang, Bingyan / Liu, Shuangshuang / Li, Hao / Yuan, Huailiang / Shen, Yan / Xu, Jie / Cheng, Yibing / Wang, Mingkui et al. | 2014
- 24755
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A cyclopenta[1,2-b:5,4-bprime]dithiophene-porphyrin conjugate for mesoscopic solar cells: a D-p-D-A approachLu, J. / Zhang, B. / Liu, S. / Li, H. / Yuan, H. / Shen, Y. / Xu, J. / Cheng, Y. / Wang, M. et al. | 2014
- 24763
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Structure and conformational analysis of the anti-HIV reverse transcriptase inhibitor AZT using MP2 and DFT methods. Differences with the natural nucleoside thymidine. Simulation of the 1st phosphorylation step with ATPPalafox, M. Alcolea et al. | 2014
- 24784
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Evidence for the intrinsic nature of band-gap states electrochemically observed on atomically flat TiO2(110) surfacesTakata, Shintaro / Miura, Yoshihiro / Matsumoto, Yuji et al. | 2014
- 24790
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Efficacy of titanium doped-indium tin oxide (Ti/TiO2–ITO) films in rapid oxygen generation under photocatalysis and their suitability for bio-medical applicationSubrahmanyam, A. / Rajakumar, A. / Rakibuddin, Md. / Paul Ramesh, T. / Raveendra Kiran, M. / Shankari, D. / Chandrasekhar, K. et al. | 2014
- 24800
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The effect of the reactant internal excitation on the dynamics of the C+ + H2 reactionHerráez-Aguilar, D. / Jambrina, P. G. / Menéndez, M. / Aldegunde, J. / Warmbier, R. / Aoiz, F. J. et al. | 2014
- 24813
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Cross polarization from 1H to quadrupolar 6Li nuclei for dissolution DNPPerez Linde, Angel J. / Bornet, Aurélien / Milani, Jona / Vuichoud, Basile / Melzi, Roberto / Jannin, Sami / Bodenhausen, Geoffrey et al. | 2014
- 24818
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Promoting alkali and alkaline-earth metals on MgO for enhancing CO2 capture by first-principles calculationsKim, Kiwoong / Han, Jeong Woo / Lee, Kwang Soon / Lee, Won Bo et al. | 2014
- 24824
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Light yield sensitization by X-ray irradiation of the BaAl4O7:Eu2+ceramic scintillator obtained by full crystallization of glassPatton, Gaël / Moretti, Federico / Belsky, Andrei / Al Saghir, Kholoud / Chenu, Sébastien / Matzen, Guy / Allix, Mathieu / Dujardin, Christophe et al. | 2014
- 24830
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Gibbs free energy of liquid water derived from infrared measurementsBergonzi, Isabelle / Mercury, Lionel / Brubach, Jean-Blaise / Roy, Pascale et al. | 2014
- 24841
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A combined MD/QM and experimental exploration of conformational richness in branched oligothiophenesSjöqvist, Jona / González-Cano, Rafael C. / López Navarrete, Juan T. / Casado, Juan / Ruiz Delgado, M. Carmen / Linares, Mathieu / Norman, Patrick et al. | 2014
- 24853
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Light-harvesting capabilities of low band gap donor–acceptor polymersHedström, Svante / Henriksson, Patrik / Wang, Ergang / Andersson, Mats R. / Persson, Petter et al. | 2014
- 24866
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Molecular chemisorption on passivated and defective boron doped silicon surfaces: a “forced” dative bondBoukari, Khaoula / Duverger, Eric / Sonnet, Philippe et al. | 2014
- 24874
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Mesoporous Li4Ti5O12−x/C submicrospheres with comprehensively improved electrochemical performances for high-power lithium-ion batteriesLin, Chunfu / Lai, Man On / Zhou, Henghui / Lu, Li et al. | 2014
- 24884
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Optical and magnetic properties of Ba5(BO3)3F single crystalsYelisseyev, A. P. / Jiang, Xingxing / Solntsev, V. P. / Bekker, T. B. / Lin, Zheshuai et al. | 2014
- 24892
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Fracture mechanism of amorphous polymers at strain fieldsHuang, Lan / Yang, Xiaoping / Jia, Xiaolong / Cao, Dapeng et al. | 2014
- 24899
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Mechanical properties of mesoporous ceria nanoarchitecturesSayle, Thi X. T. / Inkson, Beverley J. / Möbus, Günter / Parker, Stephen C. / Seal, Sudipta / Sayle, Dean C. et al. | 2014
- 24913
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Nucleation free-energy barriers with Hybrid Monte-Carlo/Umbrella SamplingGonzalez, M. A. / Sanz, E. / McBride, C. / Abascal, J. L. F. / Vega, C. / Valeriani, C. et al. | 2014
- 24920
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An atom in molecules study of infrared intensity enhancements in fundamental donor stretching bands in hydrogen bond formationTerrabuio, Luiz A. / Richter, Wagner E. / Silva, Arnaldo F. / Bruns, Roy E. / Haiduke, Roberto L. A. et al. | 2014
- 24929
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Dual function of a living polymerization initiator through the formation of a chain-end-protecting cluster: density functional theory calculationJang, Yun Hee / Lansac, Yve / Kim, Jae-Ki / Yoo, Hee-Soo / Chae, Chang-Geun / Choi, Cheol Ho / Samal, Shashadhar / Lee, Jae-Suk et al. | 2014
- 24936
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Understanding the photothermal heating effect in non-lamellar liquid crystalline systems, and the design of new mixed lipid systems for photothermal on-demand drug deliveryFong, Wye-Khay / Hanley, Tracey L. / Thierry, Benjamin / Tilley, Adam / Kirby, Nigel / Waddington, Lynne J. / Boyd, Ben J. et al. | 2014
- 24954
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Unimolecular reaction chemistry of a charge-tagged beta-hydroxyperoxyl radicalSo, Sui / Kirk, Benjamin B. / Trevitt, Adam J. / Wille, Uta / Blanksby, Stephen J. / da Silva, Gabriel et al. | 2014
- 24965
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Quantifying the dependence of dead lithium losses on the cycling period in lithium metal batteriesAryanfar, Asghar / Brooks, Daniel J. / Colussi, Agustín J. / Hoffmann, Michael R. et al. | 2014
- 24971
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Red-shifting the optical response of firefly oxyluciferin with group 15/16 substitutionsMilne, Bruce F. et al. | 2014
- 24978
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Flue gas CO2 mineralization using thermally activated serpentine: from single- to double-step carbonationWerner, Mischa / Hariharan, Subrahmaniam / Mazzotti, Marco et al. | 2014
- 24994
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Rational modifications on champion porphyrin dye SM315 using different electron-withdrawing moieties toward high performance dye-sensitized solar cellsZhang, Ji / Zhang, Jian-Zhao / Li, Hai-Bin / Wu, Yong / Geng, Yun / Su, Zhong-Min et al. | 2014
- 25004
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Photocatalytic performance of TiO2–zeolite templated carbon composites in organic contaminant degradationDonphai, Waleeporn / Kamegawa, Takashi / Chareonpanich, Metta / Nueangnoraj, Khanin / Nishihara, Hirotomo / Kyotani, Takashi / Yamashita, Hiromi et al. | 2014
- 25008
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Dynamic pattern formation of liquid crystals using binary self-assembled monolayers on an ITO surface under DC voltageIshida, Takao / Oyama, Makiko / Terada, Kei-ichi / Haga, Masa-aki et al. | 2014
- 25014
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Mixtures of protic ionic liquids and propylene carbonate as advanced electrolytes for lithium-ion batteriesVogl, T. / Menne, S. / Balducci, A. et al. | 2014
- 25024
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Spectroscopic investigation of the binding interactions of a membrane potential molecule in various supramolecular confined environments: contrasting behavior of surfactant molecules in relocation or release of the probe between nanocarriers and DNA surfaceGhosh, Surajit / Banik, Debasi / Roy, Arpita / Kundu, Niloy / Kuchlyan, Jagannath / Sarkar, Nilmoni et al. | 2014
- 25039
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Electron ionization of the nucleobases adenine and hypoxanthine near the threshold: a combined experimental and theoretical studyDawley, M. Michele / Tanzer, Katrin / Cantrell, William A. / Plattner, Peter / Brinkmann, Nicole R. / Scheier, Paul / Denifl, Stephan / Ptasińska, Sylwia et al. | 2014
- 25054
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Electron driven reactions in sulphur containing analogues of uracil: the case of 2-thiouracilKopyra, J. / Abdoul-Carime, H. / Kossoski, F. / Varella, M. T. do N. et al. | 2014
- 25062
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Insights into the reversible oxygen reduction reaction in a series of phosphonium-based ionic liquidsPozo-Gonzalo, Cristina / Howlett, Patrick C. / Hodgson, Jennifer L. / Madsen, Louis A. / MacFarlane, Douglas R. / Forsyth, Maria et al. | 2014
- 25071
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Creation of mesopores in carbon nanotubes with improved capacities for lithium ion batteriesXu, Yuan / Gong, Jiang / Chen, Xuecheng / Kalenczuk, Ryszard J. / Mijiowska, Ewa / Liu, Wenbin / Tang, Tao et al. | 2014
- 25076
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A novel photoelectrochemical flow cell with online mass spectrometric detection: oxidation of formic acid on a nanocrystalline TiO2 electrodeReichert, Robert / Jusys, Zenona / Behm, R. Jürgen et al. | 2014
- 25081
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The photo-orientation of azobenzene in viscous solutions, simulated by a stochastic modelCantatore, Valentina / Granucci, Giovanni / Persico, Maurizio et al. | 2014
- 25093
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Defect engineering in ZnO nanocones for visible photoconductivity and nonlinear absorptionKavitha, M. K. / Jinesh, K. B. / Philip, Reji / Gopinath, Pramod / John, Honey et al. | 2014
- 25101
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The low frequency motions of solvated Mn(ii) and Ni(ii) ions and their halide complexesSharma, Vinay / Böhm, Fabian / Schwaab, Gerhard / Havenith, Martina et al. | 2014
- 25111
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Impact of constitution of the terthiophene–vinylene conjugated side chain on the optical and photovoltaic properties of two-dimensional polythiophenesHsiow, Chuen-Yo / Raja, Rathinam / Wang, Chun-Yao / Lin, Yu-Hsiang / Yang, Yu-Wen / Hsieh, Yen-Ju / Rwei, Syang-Peng / Chiu, Wen-Yen / Huang, Ching-I / Wang, Leeyih et al. | 2014
- 25121
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Adhesion force interactions between cyclopentane hydrate and physically and chemically modified surfacesAman, Zachary M. / Sloan, E. Dendy / Sum, Amadeu K. / Koh, Carolyn A. et al. | 2014
- 25129
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Quantum-chemical analysis of hexagonal crystalline monolayers of ethoxylated nonionic surfactants at the air/water interfaceKartashynska, Elena S. / Vysotsky, Yuri B. / Belyaeva, Elena A. / Fainerman, Valentin B. / Vollhardt, Dieter / Miller, Reinhard et al. | 2014
- 25143
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In situ particle film ATR FTIR spectroscopy of poly (N-isopropyl acrylamide) (PNIPAM) adsorption onto talcBeattie, David A. / Addai-Mensah, Jona / Beaussart, Audrey / Franks, George V. / Yeap, Kai-Ying et al. | 2014
- 25152
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Photodegradation of 2-mercaptobenzothiazole and 1,2,3-benzotriazole corrosion inhibitors in aqueous solutions and organic solventsSerdechnova, Maria / Ivanov, Vladimir L. / Domingues, M. Rosario M. / Evtuguin, Dmitry V. / Ferreira, Mario G. S. / Zheludkevich, Mikhail L. et al. | 2014
- 25161
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Electrical conductivity of activated carbon–metal oxide nanocomposites under compression: a comparison studyBarroso-Bogeat, A. / Alexandre-Franco, M. / Fernández-González, C. / Macías-García, A. / Gómez-Serrano, V. et al. | 2014
- 25176
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Strain-induced phase transition of a C58 solidYang, L. / He, H. Y. / Hu, J. / Pan, B. C. et al. | 2014
- 25182
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Electronic surface states and dielectric self-energy profiles in colloidal nanoscale platelets of CdSeEven, Jacky / Pedesseau, Laurent / Kepenekian, Mikaël et al. | 2014
- 25191
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The effect of pressure-induced structural transition on exchange interaction function and electronic structure in Gd-elementKamali Sarvestani, N. / Yazdani, A. / Ketabi, S. A. et al. | 2014
- 25199
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Correction: A reduced radial potential energy function for the halogen bond and the hydrogen bond in complexes B⋯XY and B⋯HX, where X and Y are halogen atomsLegon, Anthony C. et al. | 2014
- 25201
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Back cover| 2014