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Material Type: Artigo
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Multicomponent Quantum Mechanics/Molecular Mechanics Study of Hydrated PositroniumMateus Bergami Andre L. D Santana; Jorge Charry; Andres Reyes; Kaline Rabelo Coutinho; Márcio Teixeira do Nascimento VarellaJournal of Physical Chemistry B Washington: ACS-American Chemical Society, 2022 v. 126, n. 14, p. 2699-2714, 4 de abril de 2022, onlineWashington 2022Item não circula. Consulte sua biblioteca.(Acessar) |
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Material Type: Artigo
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The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To AskComer, Jeffrey ; Gumbart, James C ; Hénin, Jérôme ; Lelièvre, Tony ; Pohorille, Andrew ; Chipot, ChristopheThe journal of physical chemistry. B, 2015-01, Vol.119 (3), p.1129-1151 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Internal Coordinate Molecular Dynamics: A Foundation for Multiscale DynamicsVaidehi, Nagarajan ; Jain, AbhinandanThe journal of physical chemistry. B, 2015-01, Vol.119 (4), p.1233-1242 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Role of Solvation Dynamics and Local Ordering of Water in Inducing Conformational Transitions in Poly(N-isopropylacrylamide) Oligomers through the LCSTDeshmukh, Sanket A ; Sankaranarayanan, Subramanian K. R. S ; Suthar, Kamlesh ; Mancini, Derrick CJournal of Physical Chemistry B, 2012-03, Vol.116 (9), p.2651-2663 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Physical Aging, the Local Dynamics of Glass-Forming Polymers under Nanoscale ConfinementShavit, Amit ; Riggleman, Robert AThe journal of physical chemistry. B, 2014-07, Vol.118 (30), p.9096-9103 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-DiphenylisobenzofuranJohnson, Justin C ; Akdag, Akin ; Zamadar, Matibur ; Chen, Xudong ; Schwerin, Andrew F ; Paci, Irina ; Smith, Millicent B ; Havlas, Zdeněk ; Miller, John R ; Ratner, Mark A ; Nozik, Arthur J ; Michl, JosefJournal of Physical Chemistry B, 2013-04, Vol.117 (16), p.4680-4695 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Modification of the Generalized Born Model Suitable for MacromoleculesOnufriev, Alexey ; Bashford, Donald ; Case, David AThe journal of physical chemistry. B, 2000-04, Vol.104 (15), p.3712-3720 [Periódico revisado por pares]American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Diffusiophoresis in Suspensions of Charged Porous ParticlesHuang, Hsin Y ; Keh, Huan JThe journal of physical chemistry. B, 2015-02, Vol.119 (5), p.2040-2050 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Insights into the Lactonase Mechanism of Serum Paraoxonase 1 (PON1): Experimental and Quantum Mechanics/Molecular Mechanics (QM/MM) StudiesLe, Quang Anh Tuan ; Kim, Seonghoon ; Chang, Rakwoo ; Kim, Yong HwanThe journal of physical chemistry. B, 2015-07, Vol.119 (30), p.9571-9585 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Surface Tension of Supercooled Water Determined by Using a Counterpressure Capillary Rise MethodVinš, Václav ; Fransen, Maurice ; Hykl, Jiří ; Hrubý, JanThe journal of physical chemistry. B, 2015-04, Vol.119 (17), p.5567-5575 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |