The pure rotational spectrum of the T-shaped AlC2 radical (X&cmb.tilde;2A1) (English)
- New search for: Halfen, D. T.
- New search for: Ziurys, L. M.
- New search for: Halfen, D. T.
- New search for: Ziurys, L. M.
In:
Physical Chemistry Chemical Physics
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20
, 16
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11047-11052
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2018
- Article (Journal) / Electronic Resource
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Title:The pure rotational spectrum of the T-shaped AlC2 radical (X&cmb.tilde;2A1)
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Contributors:Halfen, D. T. ( author ) / Ziurys, L. M. ( author )
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Published in:Physical Chemistry Chemical Physics ; 20, 16 ; 11047-11052
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Publisher:
- New search for: The Royal Society of Chemistry
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Publication date:2018-04-25
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Size:6 pages
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ISSN:
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Coden:
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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 20, Issue 16
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.
- 10535
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Front cover| 2018
- 10536
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Inside front cover| 2018
- 10537
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Contents list| 2018
- 10561
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Kinetics in the real world: linking molecules, processes, and systemsKohse-Höinghaus, Katharina / Troe, Jürgen / Grabow, Jens-Uwe / Olzmann, Matthia / Friedrichs, Gernot / Hungenberg, Klaus-Dieter et al. | 2018
- 10569
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Coupling free radical catalysis, climate change, and human healthAnderson, J. G. / Clapp, C. E. et al. | 2018
- 10588
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Multi-fuel surrogate chemical kinetic mechanisms for real world applicationsWestbrook, Charles K. / Mehl, Marco / Pitz, William J. / Kukkadapu, Goutham / Wagnon, Scott / Zhang, Kuiwen et al. | 2018
- 10607
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H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications for kinetic modelling of toluene oxidationPelucchi, M. / Cavallotti, C. / Faravelli, T. / Klippenstein, S. J. et al. | 2018
- 10628
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Experimental and kinetic modeling investigation of rich premixed toluene flames doped with n-butanolLi, Yuyang / Yuan, Wenhao / Li, Tianyu / Li, Wei / Yang, Jiuzhong / Qi, Fei et al. | 2018
- 10637
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Modeling study of the anti-knock tendency of substituted phenols as additives: an application of the reaction mechanism generator (RMG)Zhang, Peng / Yee, Nathan W. / Filip, Sorin V. / Hetrick, Casey E. / Yang, Bin / Green, William H. et al. | 2018
- 10650
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Effect of a single water molecule on the HO2 + ClO reactionLi, Junyao / Tsona, Narcisse T. / Du, Lin et al. | 2018
- 10660
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The reaction of fluorine atoms with methanol: yield of CH3O/CH2OH and rate constant of the reactions CH3O + CH3O and CH3O + HO2Assaf, Emmanuel / Schoemaecker, Coralie / Vereecken, Luc / Fittschen, Christa et al. | 2018
- 10671
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Can electrostatic catalysis of Diels–Alder reactions be harnessed with pH-switchable charged functional groups?Aitken, Heather M. / Coote, Michelle L. et al. | 2018
- 10677
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Pronounced exciton and coherent phonon dynamics in BiI3Scholz, Mirko / Oum, Kawon / Lenzer, Thoma et al. | 2018
- 10686
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Shock-tube study of the decomposition of tetramethylsilane using gas chromatography and high-repetition-rate time-of-flight mass spectrometrySela, P. / Peukert, S. / Herzler, J. / Fikri, M. / Schulz, C. et al. | 2018
- 10697
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Gas phase 1H NMR studies and kinetic modeling of dihydrogen isotope equilibration catalyzed by Ru-nanoparticles under normal conditions: dissociative vs. associative exchangeLimbach, Hans-Heinrich / Pery, Tal / Rothermel, Niel / Chaudret, Bruno / Gutmann, Torsten / Buntkowsky, Gerd et al. | 2018
- 10713
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Ultrafast stimulated emission of nitrophenolates in organic and aqueous solutionsMichenfelder, N. C. / Ernst, H. A. / Schweigert, C. / Olzmann, M. / Unterreiner, A.-N. et al. | 2018
- 10721
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Kinetics of the a-C3H5 + O2 reaction, investigated by photoionization using synchrotron radiationSchleier, D. / Constantinidis, P. / Faßheber, N. / Fischer, I. / Friedrichs, G. / Hemberger, P. / Reusch, E. / Sztáray, B. / Voronova, K. et al. | 2018
- 10732
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Barriometry – an enhanced database of accurate barrier heights for gas-phase reactionsChan, Bun / Simmie, John M. et al. | 2018
- 10741
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Ab initio calculations and kinetic modeling of thermal conversion of methyl chloride: implications for gasification of biomassSingla, Mallika / Rasmussen, Morten Lund / Hashemi, Hamid / Wu, Hao / Glarborg, Peter / Pelucchi, Matteo / Faravelli, Tiziano / Marshall, Paul et al. | 2018
- 10753
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In situ synchrotron XRD analysis of the kinetics of spodumene phase transitionsL. Moore, Radhika / Mann, Jason P. / Montoya, Alejandro / Haynes, Brian S. et al. | 2018
- 10762
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Kinetics of autoignition: a simple intuitive interpretation and its relation to the Livengood–Wu integralMiyoshi, Akira et al. | 2018
- 10770
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Global quasi-linearization (GQL) versus QSSA for a hydrogen–air auto-ignition problemYu, Chunkan / Bykov, Viatcheslav / Maas, Ulrich et al. | 2018
- 10780
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Influences of the molecular fuel structure on combustion reactions towards soot precursors in selected alkane and alkene flamesRuwe, Lena / Moshammer, Kai / Hansen, Nil / Kohse-Höinghaus, Katharina et al. | 2018
- 10796
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Ab initio kinetic Monte Carlo simulation of seeded emulsion polymerizations of styreneDrache, Marco / Brandl, Katrin / Reinhardt, Rebecca / Beuermann, Sabine et al. | 2018
- 10806
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Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implicationsMonge-Palacios, M. / Rissanen, Matti P. / Wang, Zhandong / Sarathy, S. Mani et al. | 2018
- 10815
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Direct measurement of &z.rad;OH and HO2&z.rad; formation in &z.rad;R + O2 reactions of cyclohexane and tetrahydropyranChen, Ming-Wei / Rotavera, Brandon / Chao, Wen / Zádor, Judit / Taatjes, Craig A. et al. | 2018
- 10826
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High temperature pyrolysis of 2-methyl furanTranter, R. S. / Lynch, P. T. / Randazzo, J. B. / Lockhart, J. P. A. / Chen, X. / Goldsmith, C. F. et al. | 2018
- 10838
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Kinetics of the reaction of CO3&z.rad;−(H2O)n, n = 0, 1, 2, with nitric acid, a key reaction in tropospheric negative ion chemistryvan der Linde, Christian / Tang, Wai Kit / Siu, Chi-Kit / Beyer, Martin K. et al. | 2018
- 10846
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Interfacial electrostatics of poly(vinylamine hydrochloride), poly(diallyldimethylammonium chloride), poly-l-lysine, and poly-l-arginine interacting with lipid bilayersMcGeachy, A. C. / Dalchand, N. / Caudill, E. R. / Li, T. / Doğangün, M. / Olenick, L. L. / Chang, H. / Pedersen, J. A. / Geiger, F. M. et al. | 2018
- 10857
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CaRMeN: a tool for analysing and deriving kinetics in the real worldGossler, H. / Maier, L. / Angeli, S. / Tischer, S. / Deutschmann, O. et al. | 2018
- 10877
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Ab initio derived group additivity model for intramolecular hydrogen abstraction reactionsVandeVijver, R. / Sabbe, M. / Reyniers, M. F. / VanGeem, K. / Marin, G. et al. | 2018
- 10895
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Reaction kinetics of hydrogen atom abstraction from isopentanol by the H atom and HO2&z.rad; radicalParab, Prajakta Rajaram / Heufer, K. Alexander / Fernandes, Ravi Xavier et al. | 2018
- 10906
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A combined crossed molecular beams and computational study on the formation of distinct resonantly stabilized C5H3 radicals via chemically activated C5H4 and C6H6 intermediatesThomas, Aaron M. / Lucas, Michael / Zhao, Long / Liddiard, Jerid / Kaiser, Ralf I. / Mebel, Alexander M. et al. | 2018
- 10926
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Reactive polycyclic aromatic hydrocarbon dimerization drives soot nucleationKholghy, M. R. / Kelesidis, G. A. / Pratsinis, S. E. et al. | 2018
- 10939
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Competition kinetics of OH radical reactions with oxygenated organic compounds in aqueous solution: rate constants and internal optical absorption effectsSchaefer, T. / Herrmann, H. et al. | 2018
- 10949
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Intramolecular vibrational energy redistribution in HCCCH2X (X = Cl, Br, I) measured by femtosecond pump–probe experiments in a hollow waveguideKushnarenko, Alexander / Miloglyadov, Eduard / Quack, Martin / Seyfang, Georg et al. | 2018
- 10960
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Oxidation of substituted aromatic hydrocarbons in the tropospheric aqueous phase: kinetic mechanism development and modellingHoffmann, Erik H. / Tilgner, Andrea / Wolke, Ralf / Böge, Olaf / Walter, Arno / Herrmann, Hartmut et al. | 2018
- 10978
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Design and properties of functional zwitterions derived from ionic liquidsOhno, Hiroyuki / Yoshizawa-Fujita, Masahiro / Kohno, Yuki et al. | 2018
- 10992
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Quantum mechanical determination of atomic polarizabilities of ionic liquidsHeid, Esther / Szabadi, Andrá / Schröder, Christian et al. | 2018
- 10997
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What dictates which ion, I− or Br−, mediates the growth of cubic Pd nanocrystals?Wang, Ze-Hong / Wu, Ya-Jiao / Xue, Huan-Huan / Zhou, Lin-Nan / Geng, Wen-Chao / Yi, Hai-Bo / Li, Yong-Jun et al. | 2018
- 11003
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Lanthanide atom substitutionally doped blue phosphorene: electronic and magnetic behaviorsSu, Bo / Li, Nan et al. | 2018
- 11013
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Structural transformation of h-BN overlayers on Pt(111) in oxidative atmospheresMeng, Caixia / Li, Yifan / Wu, Hao / Wei, Wei / Ning, Yanxiao / Cui, Yi / Fu, Qiang / Bao, Xinhe et al. | 2018
- 11021
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Bias-dependent transport properties of passivated tilted black phosphorene nanoribbonsSubhan, Fazle / Farooq, M. Umar / Hong, Jisang et al. | 2018
- 11028
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Thermal conductivity of ice polymorphs: a computational studyIriarte-Carretero, Irene / Gonzalez, Miguel A. / Bresme, Fernando et al. | 2018
- 11037
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Site-selective reversible Diels–Alder reaction between a biphenylene-based polyarene and a semiconductor surfaceGodlewski, Szymon / Engelund, Mad / Peña, Diego / Zuzak, Rafał / Kawai, Hiroyo / Kolmer, Marek / Caeiro, Jorge / Guitián, Enrique / Vollhardt, K. Peter C. / Sánchez-Portal, Daniel et al. | 2018
- 11047
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The pure rotational spectrum of the T-shaped AlC2 radical (X&cmb.tilde;2A1)Halfen, D. T. / Ziurys, L. M. et al. | 2018
- 11053
-
A reactive molecular dynamics study of graphene oxide sheets in different saturated states: structure, reactivity and mechanical propertiesHou, Dongshuai / Yang, Tiejun et al. | 2018
- 11067
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Ultrafast action chemistry in slow motion: atomistic description of the excitation and fluorescence processes in an archetypal fluorescent proteinArmengol, Pau / Spörkel, Lasse / Gelabert, Ricard / Moreno, Miquel / Thiel, Walter / Lluch, José M. et al. | 2018
- 11081
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Bromine adatom promoted C–H bond activation in terminal alkynes at room temperature on Ag(111)Liu, Jing / Chen, Qiwei / He, Qilin / Zhang, Yajie / Fu, Xiangyu / Wang, Yongfeng / Zhao, Dahui / Chen, Wei / Xu, Guo Qin / Wu, Kai et al. | 2018
- 11089
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Enthalpic interactions in aqueous strong electrolytes upon addition of ionic liquidsJain, Preeti / Kumar, Anil et al. | 2018
- 11100
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A unified model of Grignard reagent formationShao, Yunqi / Liu, Zhen / Huang, Pan / Liu, Boping et al. | 2018
- 11109
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Highly infrared sensitive VO2 nanowires for a nano-optical deviceBhuyan, Prabal Dev / Gupta, Sanjeev K. / Kumar, Ashok / Sonvane, Yogesh / Gajjar, P. N. et al. | 2018
- 11116
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The effect of KH on enhancing the dehydrogenation properties of the Li–N–H system and its catalytic mechanismDong, Bao-Xia / Wang, Lu / Ge, Jun / Ping, Chao / Teng, Yun-Lei / Li, Zong-Wei et al. | 2018
- 11123
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Monitoring the chemical and electronic properties of electrolyte–electrode interfaces in all-solid-state batteries using operando X-ray photoelectron spectroscopyWu, Xiaohan / Villevieille, Claire / Novák, Petr / El Kazzi, Mario et al. | 2018
- 11130
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Molecular dynamics study on calcium silicate hydrate subjected to tension loading and water attack: structural evolution, dynamics degradation and reactivity mechanismHou, Dongshuai / Yu, Jiao / Jin, Zuquan / Hanif, Asad et al. | 2018
- 11145
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ESR evidence of the dynamic crossover in the supercooled liquid states of a series of solid n-alkanesBartoš, Josef / Corsaro, C. / Mallamace, D. / Švajdlenková, H. / Lukešová, M. et al. | 2018
- 11152
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Fundamental limitation of electrocatalytic methane conversion to methanolArnarson, Logi / Schmidt, Per S. / Pandey, Mohnish / Bagger, Alexander / Thygesen, Kristian S. / Stephens, Ifan E. L. / Rossmeisl, Jan et al. | 2018
- 11160
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Chiral polymorphism in the self-assemblies of achiral molecules induced by multiple hydrogen bondsMiao, Kai / Hu, Yi / Xu, Li / Dong, Meiqiu / Wu, Juntian / Miao, Xinrui / Deng, Wenli et al. | 2018
- 11174
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Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutionsAdamczak, Beata / Kogut, Mateusz / Czub, Jacek et al. | 2018
- 11183
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First-principles investigation of the Lewis acid–base adduct formation at the methylammonium lead iodide surfaceGiorgi, Giacomo / Yamashita, Koichi / Segawa, Hiroshi et al. | 2018
- 11196
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Nitroxide–nitroxide and nitroxide–metal distance measurements in transition metal complexes with two or three paramagnetic centres give access to thermodynamic and kinetic stabilitiesGiannoulis, A. / Ackermann, K. / Spindler, P. E. / Higgins, C. / Cordes, D. B. / Slawin, A. M. Z. / Prisner, T. F. / Bode, B. E. et al. | 2018
- 11206
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Self-trapping relaxation decay investigated by time-resolved photoelectron spectroscopyLietard, Aude / Piani, Giovanni / Briant, Marc / Gaveau, Marc-André / Faisan, Sylvain / Mazet, Vincent / Soep, Benoît / Mestdagh, Jean-Michel / Poisson, Lionel et al. | 2018
- 11215
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Effect of divalent versus monovalent cations on the MS2 retention capacity of amino-functionalized ceramic filtersBartels, J. / Hildebrand, N. / Nawrocki, M. / Kroll, S. / Maas, M. / Colombi Ciacchi, L. / Rezwan, K. et al. | 2018
- 11224
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Isomeric structures of isolated ammonium nitrate and its hydrogenated species identified through PES experiments and DFT calculationsZeng, Zhen / Bernstein, Elliot R. et al. | 2018
- 11237
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Conformational sampling of the intrinsically disordered dsRBD-1 domain from Arabidopsis thaliana DCL1Suárez, Irina P. / Gauto, Diego F. / Hails, Guillermo / Mascali, Florencia C. / Crespo, Roberta / Zhao, Lingzi / Wang, Jin / Rasia, Rodolfo M. et al. | 2018
- 11247
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The halogen effect on the 13C NMR chemical shift in substituted benzenesV. Viesser, Renan / Ducati, Lucas C. / Tormena, Cláudio F. / Autschbach, Jochen et al. | 2018
- 11260
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Decomposition of methanol-d4 on Au–Rh bimetallic nanoclusters on a thin film of Al2O3/NiAl(100)Lee, Hsuan / Liao, Zhen-He / Hsu, Po-Wei / Wu, Yu-Cheng / Cheng, Meng-Chin / Wang, Jeng-Han / Luo, Meng-Fan et al. | 2018
- 11273
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Tuning the spectral response of ultraviolet organic–inorganic hybrid photodetectors via charge trapping and charge collection narrowingEsopi, Monica R. / Zheng, Erjin / Zhang, Xiaoyu / Cai, Chen / Yu, Qiuming et al. | 2018
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Controllable CO2-responsiveness of O/W emulsions by varying the alkane carbon number of a tertiary amineDai, Shanshan / Suo, Yuxin / Liu, Dongfang / Zhu, Peiyao / Zhao, Jihe / Tan, Jiang / Lu, Hongsheng et al. | 2018
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On the evaporation kinetics of [60] fullerene in aromatic organic solventsAmer, Maher S. / Wang, Wenhu / Kollins, Katlin / Altalebi, Hasanain / Schwingenschlogl, Udo et al. | 2018
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Products and mechanism of the OH-initiated photo-oxidation of perfluoro ethyl vinyl ether, C2F5OCF&z.dbd;CF2Bunkan, A. J. C. / Srinivasulu, G. / Amedro, D. / Vereecken, L. / Wallington, T. J. / Crowley, J. N. et al. | 2018
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Co-solvent effects on reaction rate and reaction equilibrium of an enzymatic peptide hydrolysisWangler, A. / Canales, R. / Held, C. / Luong, T. Q. / Winter, R. / Zaitsau, D. H. / Verevkin, S. P. / Sadowski, G. et al. | 2018
- 11327
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Forces, energetics, and dynamics of conjugated-carbon ring tethers adhered to CNTs: a computational investigationFilla, Nichola / Ramasamy, Ramaraja / Wang, Xianqiao et al. | 2018
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Effects of methyl substitution on DNA binding enthalpies of enantiopure Ru(phenanthroline)2dipyridophenazine2+ complexesMårtensson, Anna K. F. / Lincoln, Per et al. | 2018
- 11342
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Band bending and dipole effect at interface of metal-nanoparticles and TiO2 directly observed by angular-resolved hard X-ray photoemission spectroscopySato, Shunsuke / Kataoka, Keita / Jinnouchi, Ryosuke / Takahashi, Naoko / Sekizawa, Keita / Kitazumi, Kousuke / Ikenaga, Eiji / Asahi, Ryoji / Morikawa, Takeshi et al. | 2018
- 11347
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Fullerene size controls the selective complexation of [11]CPP with pristine and endohedral fullerenesGonzález-Veloso, I. / Cabaleiro-Lago, E. M. / Rodríguez-Otero, J. et al. | 2018
- 11359
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Cellular uptake efficiency of nanoparticles investigated by three-dimensional imagingGoh, Yeongchang / Song, Yo Han / Lee, Gibok / Bae, Hyeongyu / Mahata, Manoj Kumar / Lee, Kang Taek et al. | 2018
- 11369
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Silicene and germanene on InSe substrates: structures and tunable electronic propertiesFan, Yingcai / Liu, Xiaobiao / Wang, Junru / Ai, Haoqiang / Zhao, Mingwen et al. | 2018
- 11378
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Degradation of thin-film lithium batteries characterised by improved potentiometric measurement of entropy changeZhang, Xiao-Feng / Zhao, Yan / Liu, Hong-Yan / Zhang, Teng / Liu, Wei-Ming / Chen, Mu / Patel, Yatish / Offer, Gregory J. / Yan, Yue et al. | 2018
- 11386
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Intermolecular interactions between - and p-holes of bromopentafluorobenzene and pyridine: computational and experimental investigationsYang, F. L. / Yang, X. / Wu, R. Z. / Yan, C. X. / Yang, F. / Ye, W. / Zhang, L. W. / Zhou, P. P. et al. | 2018
- 11386
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Intermolecular interactions between σ- and π-holes of bromopentafluorobenzene and pyridine: computational and experimental investigationsYang, Fang-Ling / Yang, Xing / Wu, Rui-Zhi / Yan, Chao-Xian / Yang, Fan / Ye, Weichun / Zhang, Liang-Wei / Zhou, Pan-Pan et al. | 2018
- 11396
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Room-temperature processed films of colloidal carved rod-shaped nanocrystals of reduced tungsten oxide as interlayers for perovskite solar cellsMasi, Sofia / Mastria, Rosanna / Scarfiello, Riccardo / Carallo, Sonia / Nobile, Concetta / Gambino, Salvatore / Sibillano, Teresa / Giannini, Cinzia / Colella, Silvia / Listorti, Andrea et al. | 2018
- 11405
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The synergetic effects of Ti3C2 MXene and Pt as co-catalysts for highly efficient photocatalytic hydrogen evolution over g-C3N4An, Xiaoqiang / Wang, Wei / Wang, Jiangpeng / Duan, Haozhi / Shi, Jintao / Yu, Xuelian et al. | 2018
- 11412
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Tailored photocleavable peptides: fragmentation and neutralization pathways in high vacuumDebiossac, M. / Schätti, J. / Kriegleder, M. / Geyer, P. / Shayeghi, A. / Mayor, M. / Arndt, M. / Köhler, V. et al. | 2018
- 11418
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Electron-driven spin diffusion supports crossing the diffusion barrier in MAS DNPWittmann, Johannes J. / Eckardt, Michael / Harneit, Wolfgang / Corzilius, Björn et al. | 2018
- 11430
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Pressure-induced anomalies and structural instability in compressed b-Sb2O3Zou, Y. / Zhang, W. / Li, X. / Ma, M. / Li, X. a. / Wang, C. H. / He, B. / Wang, S. / Chen, Z. / Zhao, Y. et al. | 2018
- 11430
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Pressure-induced anomalies and structural instability in compressed β-Sb2O3Zou, Yongtao / Zhang, Wei / Li, Xuefei / Ma, Maining / Li, Xing’ao / Wang, Chun-Hai / He, Bin / Wang, Shanmin / Chen, Zhiqiang / Zhao, Yusheng et al. | 2018
- 11437
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Stability of the zwitterionic liquid butyl-methyl-imidazol-2-ylidene boraneTröger-Müller, Steffen / Antonietti, Marku / Liedel, Clemen et al. | 2018
- 11444
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Molecular structure and interactions of water intercalated in nickel hydroxideJahangiri, Soran / Mosey, Nicholas J. et al. | 2018
- 11454
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Micellar confinement disrupts collective structure and accelerates collective dynamics of encapsulated waterHonegger, P. / Schmollngruber, M. / Steinhauser, O. et al. | 2018
- 11470
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Ion pairing in 1-butyl-3-methylpyridinium halide ionic liquids studied using NMR and DFT calculationsSwamy, Vincent P. / Thulasiram, Hirekodathakallu V. / Rastrelli, Federico / Saielli, Giacomo et al. | 2018
- 11481
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Comment on “Isomerization of the methoxy radical revisited: the impact of water dimers” by B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2016, 18, 27728 and “Isomerization of methoxy radical in the troposphere: competition between acidic, neutral and basic catalysts” by P. Kumar, B. Bandyopadhyay et al., Phys. Chem. Chem. Phys., 2017, 19, 278Dibble, Theodore S. et al. | 2018
- 11483
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Correction: Adsorption of PAHs on interstellar ice viewed by classical molecular dynamicsMichoulier, Eric / Noble, Jennifer A. / Simon, Aude / Mascetti, Joëlle / Toubin, Céline et al. | 2018
- 11484
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Correction: Origin of the temperature dependence of the energy gap in Cr-doped Bi2Se3Yilmaz, Turgut / Hines, William / Alraddadi, Shoroog / Budnick, Joseph I. / Sinkovic, Bori et al. | 2018
- 11485
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Inside back cover| 2018
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Back cover| 2018