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Material Type: Artigo
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Theoretical Investigations on Chalcogen−Chalcogen Interactions: What Makes These Nonbonded Interactions Bonding?Bleiholder, Christian ; Werz, Daniel B ; Köppel, Horst ; Gleiter, RolfJournal of the American Chemical Society, 2006-03, Vol.128 (8), p.2666-2674 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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On the Nature of the Low-Lying Singlet States of 4-(Dimethyl-amino)benzonitrileKöhn, Andreas ; Hättig, ChristofJournal of the American Chemical Society, 2004-06, Vol.126 (23), p.7399-7410 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Theoretical Prediction of Noble Gas Containing Anions FNgO- (Ng = He, Ar, and Kr)Li, Tsung-Hui ; Mou, Chun-Hao ; Chen, Hui-Ru ; Hu, Wei-PingJournal of the American Chemical Society, 2005-06, Vol.127 (25), p.9241-9245 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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A Priori Assessment of the Stereoelectronic Profile of Phosphines and PhosphitesCooney, Katharine D ; Cundari, Thomas R ; Hoffman, Norris W ; Pittard, Karl A ; Temple, M. Danielle ; Zhao, YongJournal of the American Chemical Society, 2003-04, Vol.125 (14), p.4318-4324 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Generalized Mulliken−Hush Analysis of Electronic Coupling Interactions in Compressed π-Stacked Porphyrin−Bridge−Quinone SystemsZheng, Jieru ; Kang, Youn K ; Therien, Michael J ; Beratan, David NJournal of the American Chemical Society, 2005-08, Vol.127 (32), p.11303-11310 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Mono- and Dibridged Isomers of Si2H3 and Si2H4: the True Ground State Global Minima. Theory and Experiment in ConcertSari, Levent ; McCarthy, M. C ; Schaefer, Henry F ; Thaddeus, PJournal of the American Chemical Society, 2003-09, Vol.125 (37), p.11409-11417 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Structure and Bonding in Silver Halides. A Quantum Chemical Study of the Monomers: Ag2X, AgX, AgX2, and AgX3 (X = F, Cl, Br, I)Müller-Rösing, Hans-Christian ; Schulz, Axel ; Hargittai, MagdolnaJournal of the American Chemical Society, 2005-06, Vol.127 (22), p.8133-8145 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Electron-Rich Three-Center Bonding: Role of s,p Interactions across the p-BlockMunzarová, Markéta L ; Hoffmann, RoaldJournal of the American Chemical Society, 2002-05, Vol.124 (17), p.4787-4795 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Monocyclic Boron Carbonyls: Novel Aromatic CompoundsWu, Hai-Shun ; Jiao, Haijun ; Wang, Zhi-Xiang ; Schleyer, Paul v. RJournal of the American Chemical Society, 2003-04, Vol.125 (15), p.4428-4429 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Atomic Properties of Selected Biomolecules: Quantum Topological Atom Types of Carbon Occurring in Natural Amino Acids and Derived MoleculesPopelier, P. L. A ; Aicken, F. MJournal of the American Chemical Society, 2003-02, Vol.125 (5), p.1284-1292 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |