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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Material Type: Artigo
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The Hellmann-Feynman theorem: a perspectivePolitzer, Peter ; Murray, Jane S.Journal of molecular modeling, 2018-09, Vol.24 (9), p.266-7, Article 266 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
| 2 |
Material Type: Artigo
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Study of the antimalarial activity of 4-aminoquinoline compounds against chloroquine-sensitive and chloroquine-resistant parasite strainsLawrenson, Alexandre S. ; Cooper, David L. ; O’Neill, Paul M. ; Berry, Neil G.Journal of molecular modeling, 2018-09, Vol.24 (9), p.237-11, Article 237 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
| 3 |
Material Type: Artigo
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Characterizing the sensitivity of bonds to the curvature of carbon nanotubesDeb, Jyotirmoy ; Paul, Debolina ; Sarkar, Utpal ; Ayers, Paul W.Journal of molecular modeling, 2018-09, Vol.24 (9), p.249-11, Article 249 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Elucidation of the molecular and electronic structures of some magic silver clusters Agn (n = 8, 18, 20)Nhat, Pham Vu ; Si, Nguyen Thanh ; Nguyen, Minh ThoJournal of molecular modeling, 2018-08, Vol.24 (8), p.209-209, Article 209 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
| 5 |
Material Type: Artigo
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Local electrophilicityRobles, Andrés ; Franco-Pérez, Marco ; Gázquez, José L. ; Cárdenas, Carlos ; Fuentealba, PatricioJournal of molecular modeling, 2018-09, Vol.24 (9), p.245-12, Article 245 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Can molecular and atomic descriptors predict the electrophilicity of Michael acceptors?Hoffmann, Guillaume ; Tognetti, Vincent ; Joubert, LaurentJournal of molecular modeling, 2018-10, Vol.24 (10), p.281-12, Article 281 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
| 7 |
Material Type: Artigo
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Zintl superalkalis as building blocks of supersaltsReddy, G. Naaresh ; Kumar, A. Vijay ; Parida, Rakesh ; Chakraborty, Arindam ; Giri, SantanabJournal of molecular modeling, 2018-11, Vol.24 (11), p.306-13, Article 306 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
| 8 |
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Information equilibria, subsystem entanglement, and dynamics of the overall entropic descriptors of molecular electronic structureNalewajski, Roman F.Journal of molecular modeling, 2018-08, Vol.24 (8), p.212-15, Article 212 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Coordination numbers in hydrated Cu(II) ionsMonjaraz-Rodríguez, Alejandra ; Rodriguez-Bautista, Mariano ; Garza, Jorge ; Zubillaga, Rafael A. ; Vargas, RubiceliaJournal of molecular modeling, 2018-07, Vol.24 (7), p.187-9, Article 187 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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SCI: a robust and reliable density-based descriptor to determine multiple covalent bond ordersHuang, Ying ; Liu, Lianghong ; Rong, Chunying ; Lu, Tian ; Ayers, Paul W. ; Liu, ShubinJournal of molecular modeling, 2018-08, Vol.24 (8), p.213-8, Article 213 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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