Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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11 |
Material Type: Artigo
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TD-DFT benchmarks: A reviewLaurent, Adèle D. ; Jacquemin, DenisInternational journal of quantum chemistry, 2013-09, Vol.113 (17), p.2019-2039 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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12 |
Material Type: Artigo
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Structure‐function relationships of starch componentsVamadevan, Varatharajan ; Bertoft, EricDie Stärke, 2015-01, Vol.67 (1-2), p.55-68 [Periódico revisado por pares]Weinheim: Verlag ChemieTexto completo disponível |
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13 |
Material Type: Artigo
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Adaptive machine learning framework to accelerate ab initio molecular dynamicsBotu, Venkatesh ; Ramprasad, RampiInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1074-1083 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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14 |
Material Type: Artigo
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Tensor product methods and entanglement optimization for ab initio quantum chemistrySzalay, Szilárd ; Pfeffer, Max ; Murg, Valentin ; Barcza, Gergely ; Verstraete, Frank ; Schneider, Reinhold ; Legeza, ÖrsInternational journal of quantum chemistry, 2015-10, Vol.115 (19), p.1342-1391 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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15 |
Material Type: Artigo
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Machine learning for quantum mechanics in a nutshellRupp, MatthiasInternational journal of quantum chemistry, 2015-08, Vol.115 (16), p.1058-1073 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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16 |
Material Type: Artigo
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Diagnosis and Management of Vaccine-Related Thrombosis following AstraZeneca COVID-19 Vaccination: Guidance Statement from the GTHOldenburg, Johannes ; Klamroth, Robert ; Langer, Florian ; Albisetti, Manuela ; von Auer, Charis ; Ay, Cihan ; Korte, Wolfgang ; Scharf, Rüdiger E. ; Pötzsch, Bernd ; Greinacher, AndreasHämostaseologie, 2021-06, Vol.41 (3), p.184-189 [Periódico revisado por pares]Rüdigerstraße 14, 70469 Stuttgart, Germany: Georg Thieme Verlag KGTexto completo disponível |
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17 |
Material Type: Artigo
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Cool horizons for entangled black holesMaldacena, J. ; Susskind, L.Fortschritte der Physik, 2013-09, Vol.61 (9), p.781-811 [Periódico revisado por pares]Berlin: WILEY-VCH VerlagTexto completo disponível |
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18 |
Material Type: Artigo
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Intrinsic reaction coordinate: Calculation, bifurcation, and automated searchMaeda, Satoshi ; Harabuchi, Yu ; Ono, Yuriko ; Taketsugu, Tetsuya ; Morokuma, KeijiInternational journal of quantum chemistry, 2015-03, Vol.115 (5), p.258-269 [Periódico revisado por pares]Hoboken: Blackwell Publishing LtdTexto completo disponível |
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19 |
Material Type: Artigo
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Efficient Charge Separation in 2D Janus van der Waals Structures with Built-in Electric Fields and Intrinsic p–n DopingRiis-Jensen, Anders C ; Pandey, Mohnish ; Thygesen, Kristian SJournal of physical chemistry. C, 2018-11, Vol.122 (43), p.24520-24526 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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20 |
Material Type: Artigo
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Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bondsScheiner, SteveInternational journal of quantum chemistry, 2013-06, Vol.113 (11), p.1609-1620 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |