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Material Type: Artigo
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Cyclopentanethiolato-Protected Au36(SC5H9)24 Nanocluster: Crystal Structure and Implications for the Steric and Electronic Effects of LigandDas, Anindita ; Liu, Chong ; Zeng, Chenjie ; Li, Gao ; Li, Tao ; Rosi, Nathaniel L ; Jin, RongchaoThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-09, Vol.118 (37), p.8264-8269 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Upstream Rheotaxis of Catalytic Janus SpheresSharan, Priyanka ; Xiao, Zuyao ; Mancuso, Viviana ; Uspal, William E ; Simmchen, JulianeACS nano, 2022-03, Vol.16 (3), p.4599-4608 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Tracking Hydronium/Water Stretches in Magic H3O+(H2O)20 Clusters through High-level Quantum VSCF/VCI CalculationsYu, Qi ; Bowman, Joel MThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-02, Vol.124 (6), p.1167-1175 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Prediction of pKa Values for Druglike Molecules Using Semiempirical Quantum Chemical MethodsJensen, Jan H ; Swain, Christopher J ; Olsen, LarsThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-01, Vol.121 (3), p.699-707 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Vanadium Imido NHC Complexes for Ring-Closing Olefin Metathesis ReactionsTejeda, Gabriela ; Belov, Dmitry S. ; Fenoll, Didac A. ; Rue, Kelly L. ; Tsay, Charlene ; Solans-Monfort, Xavier ; Bukhryakov, Konstantin V.Organometallics, 2022-02, Vol.41 (4), p.361-365 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Quantum Chemical Studies of Light HarvestingCurutchet, Carles ; Mennucci, BenedettaChemical reviews, 2017-01, Vol.117 (2), p.294-343 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Direct and Reliable Method for Estimating the Hydrogen Bond Energies and Cooperativity in Water Clusters, Wn, n = 3 to 8Ahirwar, Mini Bharati ; Gadre, Shridhar R ; Deshmukh, Milind MThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-08, Vol.124 (33), p.6699-6706 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Isomer-Selective Spectroscopy and Dynamics of Phenol-Arn (n ≤ 5) ClustersMiyazaki, Mitsuhiko ; Sakata, Yuri ; Ono, Megumi ; Otsuka, Remina ; Ohara, Ryuhei ; Dopfer, Otto ; Fujii, MasaakiThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-11, Vol.125 (46), p.9969-9981 [Periódico revisado por pares]Texto completo disponível |
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Material Type: Artigo
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Exciplex Stabilization in Asymmetric Acene DimersKrueger, Rachel A ; Blanquart, GuillaumeThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-03, Vol.123 (9), p.1796-1806 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Assessment of Various Electronic Structure Methods for Characterizing Temporary Anion States: Application to the Ground State Anions of N2, C2H2, C2H4, and C6H6Falcetta, Michael F ; DiFalco, Laura A ; Ackerman, Daniel S ; Barlow, John C ; Jordan, Kenneth DThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-09, Vol.118 (35), p.7489-7497 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |