Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artículo
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Quantum Crystallography: Current Developments and Future PerspectivesGenoni, Alessandro ; Bučinský, Lukas ; Claiser, Nicolas ; Contreras‐García, Julia ; Dittrich, Birger ; Dominiak, Paulina M. ; Espinosa, Enrique ; Gatti, Carlo ; Giannozzi, Paolo ; Gillet, Jean‐Michel ; Jayatilaka, Dylan ; Macchi, Piero ; Madsen, Anders Ø. ; Massa, Lou ; Matta, Chérif F. ; Merz, Kenneth M. ; Nakashima, Philip N. H. ; Ott, Holger ; Ryde, Ulf ; Schwarz, Karlheinz ; Sierka, Marek ; Grabowsky, SimonChemistry : a European journal, 2018-08, Vol.24 (43), p.10881-10905 [Revista revisada por pares]Germany: Wiley Subscription Services, IncTexto completo disponible |
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2 |
Material Type: Artículo
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A graphene flake under external electric fields reconstructed from field-perturbed kernelsHuang, Lulu ; Massa, Lou ; Matta, Chérif F.Carbon (New York), 2014-09, Vol.76, p.310-320 [Revista revisada por pares]Kidlington: Elsevier LtdTexto completo disponible |
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3 |
Material Type: Artículo
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Establishing new diffuse interstellar band correlations to identify common carriersSmith, Fraser M ; Harriott, Tina A ; Majaess, Daniel ; Massa, Lou ; Matta, Chérif FMonthly notices of the Royal Astronomical Society, 2021-11, Vol.507 (4), p.5236-5245 [Revista revisada por pares]Oxford University PressTexto completo disponible |
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4 |
Material Type: Artículo
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Protoribosome by quantum kernel energy methodHuang, Lulu ; Krupkin, Miri ; Bashan, Anat ; Yonath, Ada ; Massa, LouProceedings of the National Academy of Sciences - PNAS, 2013-09, Vol.110 (37), p.14900-14905 [Revista revisada por pares]United States: National Academy of SciencesTexto completo disponible |
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5 |
Material Type: Artículo
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Kohn-Sham Density Matrix and the Kernel Energy MethodPOLKOSNIK Walter ; MASSA Lou物理化学学报, 2018-03, Vol.34 (6), p.656-661The Graduate Center of the City University of New York, Physics Department, 365 5th Avenue, New York, NY 10016, USA%Hunter College of the City University of New York, Chemistry Department, 695 Park Avenue, New York, NY 10065, USATexto completo disponible |
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6 |
Material Type: Artículo
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Thermochromicity in Wool Dyed with 6-Bromoindigo Depends on the Presence and Identity of a SolventRamig, Keith ; Eskaros, Timone ; Islam, Tazrian ; Lavinda, Olga ; Karimi, Sasan ; Massa, Lou ; Cooksey, ChristopherHeritage, 2023-01, Vol.6 (1), p.672-680 [Revista revisada por pares]Basel: MDPI AGTexto completo disponible |
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7 |
Material Type: Artículo
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Calculated interactions of a nitro group with aromatic rings of crystalline picryl bromideHuang, Lulu ; Massa, Lou ; Karle, JeromeProceedings of the National Academy of Sciences - PNAS, 2008-09, Vol.105 (37), p.13720-13723 [Revista revisada por pares]United States: National Academy of SciencesTexto completo disponible |
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8 |
Material Type: Artículo
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Kernel energy method applied to vesicular stomatitis virus nucleoproteinHuang, Lulu ; Massa, Lou ; Karle, JeromeProceedings of the National Academy of Sciences - PNAS, 2009-02, Vol.106 (6), p.1731-1736 [Revista revisada por pares]United States: National Academy of SciencesTexto completo disponible |
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9 |
Material Type: Artículo
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The Transition State for Formation of the Peptide Bond in the RibosomeGindulyte, Asta ; Bashan, Anat ; Agmon, Ilana ; Massa, Lou ; Yonath, Ada ; Karle, JeromeProceedings of the National Academy of Sciences - PNAS, 2006-09, Vol.103 (36), p.13327-13332 [Revista revisada por pares]United States: National Academy of SciencesTexto completo disponible |
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10 |
Material Type: Artículo
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Single determinant N‐representability and the kernel energy method applied to water clustersPolkosnik, Walter ; Massa, LouJournal of computational chemistry, 2018-06, Vol.39 (17), p.1038-1043 [Revista revisada por pares]United States: Wiley Subscription Services, IncTexto completo disponible |