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1 |
Material Type: Artigo
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Performance of conventional and dispersion-corrected density-functional theory methods for hydrogen bonding interaction energiesDILABIO, Gino A ; JOHNSON, Erin R ; OTERO-DE-LA-ROZA, AlbertoPhysical chemistry chemical physics : PCCP, 2013-08, Vol.15 (31), p.12821-12828 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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How accurate are static polarizability predictions from density functional theory? An assessment over 132 species at equilibrium geometryHait, Diptarka ; Head-Gordon, MartinPhysical chemistry chemical physics : PCCP, 2018, Vol.20 (30), p.19800-19810 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Attosecond transient absorption spooktroscopy: a ghost imaging approach to ultrafast absorption spectroscopyDriver, Taran ; Li, Siqi ; Champenois, Elio G ; Duris, Joseph ; Ratner, Daniel ; Lane, Thomas J ; Rosenberger, Philipp ; Al-Haddad, Andre ; Averbukh, Vitali ; Barnard, Toby ; Berrah, Nora ; Bostedt, Christoph ; Bucksbaum, Philip H ; Coffee, Ryan ; DiMauro, Louis F ; Fang, Li ; Garratt, Douglas ; Gatton, Averell ; Guo, Zhaoheng ; Hartmann, Gregor ; Haxton, Daniel ; Helml, Wolfram ; Huang, Zhirong ; LaForge, Aaron ; Kamalov, Andrei ; Kling, Matthias F ; Knurr, Jonas ; Lin, Ming-Fu ; Lutman, Alberto A ; MacArthur, James P ; Marangos, Jon P ; Nantel, Megan ; Natan, Adi ; Obaid, Razib ; O'Neal, Jordan T ; Shivaram, Niranjan H ; Schori, Aviad ; Walter, Peter ; Li Wang, Anna ; Wolf, Thomas J. A ; Marinelli, Agostino ; Cryan, James PPhysical chemistry chemical physics : PCCP, 2020, Vol.22 (5), p.274-2712 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energeticsNandy, Aditya ; Chu, Daniel B. K ; Harper, Daniel R ; Duan, Chenru ; Arunachalam, Naveen ; Cytter, Yael ; Kulik, Heather JPhysical chemistry chemical physics : PCCP, 2020-09, Vol.22 (34), p.19326-19341 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Structural modification of nanocrystalline ceria by ion beamsYANWEN ZHANG ; EDMONDSON, Philip D ; VARGA, Tamas ; MOLT, Sandra ; NAMAVAR, Fereydoon ; LAN, Chune ; WEBER, William JPhysical chemistry chemical physics : PCCP, 2011-01, Vol.13 (25), p.11946-11950 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Indication of a twist-grain-boundary-twist-bend phase of flexible core bent-shape chiral dimersMurachver, Matthew T ; Nemati, Ahlam ; Salamończyk, Mirosław ; Bullock, Carson ; Sabata, Zachary ; Rahmani, Haumed ; Vorobiova, Tetiana ; Izadnegahdar, Alain ; Salili, Seyyed Muhammad ; Norman, Victoria ; Zhu, Chenhui ; Hegmann, Torsten ; Sprunt, Samuel N ; Gleeson, James T ; Jakli, Antal ISoft matter, 2019, Vol.15 (16), p.3283-3290 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Graphene modified LiFePO4 cathode materials for high power lithium ion batteriesZhou, Xufeng ; Wang, Feng ; Zhu, Yimei ; Liu, ZhaopingJournal of materials chemistry, 2011-01, Vol.21 (10), p.3353-3358 [Periódico revisado por pares]United StatesTexto completo disponível |
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Material Type: Artigo
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Isotope-resolved atomic beam laser spectroscopy of natural uraniumLebedev, Vyacheslav ; Bartlett, Joshua H ; Castro, AlonsoJournal of analytical atomic spectrometry, 2018-11, Vol.33 (11), p.1862-1866 [Periódico revisado por pares]London: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Understanding specific ion effects and the Hofmeister seriesGregory, Kasimir P ; Elliott, Gareth R ; Robertson, Hayden ; Kumar, Anand ; Wanless, Erica J ; Webber, Grant B ; Craig, Vincent S. J ; Andersson, Gunther G ; Page, Alister JPhysical chemistry chemical physics : PCCP, 2022-06, Vol.24 (21), p.12682-12718 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Comparing molecules and solids across structural and alchemical spaceDe, Sandip ; Bartók, Albert P ; Csányi, Gábor ; Ceriotti, MichelePhysical chemistry chemical physics : PCCP, 2016, Vol.18 (20), p.13754-13769 [Periódico revisado por pares]EnglandTexto completo disponível |