Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
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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2 |
Material Type: Artigo
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Modified 3D Ewald Summation for Slab Geometry at Constant PotentialMatheus Girotto Adriano Mesquita AlencarJournal of Physical Chemistry B New York v. 124, p. 7842−7848, 2020New York 2020Item não circula. Consulte sua biblioteca.(Acessar) |
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3 |
Material Type: Artigo
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Electronic properties of water in liquid environment a sequential QM/MM study using the free energy gradient methodHerbert de Castro Georg Sylvio CanutoJournal of Physical Chemistry B London v.116, n.36 p.11247–11254London 2012Acesso online |
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4 |
Material Type: Artigo
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Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics modelPaula Jaramillo Patrícia Perez; Patricio Fuentealba; Kaline Rabelo CoutinhoJournal of Physical Chemistry B v. 113, n. 13, p. 4314-4322, 2009Washington, DC 2009Acesso online |
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5 |
Material Type: Artigo
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Solvent effects on global reactivity properties for neutral and charged systems using the sequential Monte Carlo quantum mechanics modelPaula Jaramillo Patrícia Perez; Patricio Fuentealba; Kaline Rabelo CoutinhoJournal of Physical Chemistry B v. 113, n. 13, p. 4314-4322, 2009Washington, DC 2009Acesso online |
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6 |
Material Type: Artigo
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Hydrophobic Hydration in an Orientational Lattice ModelNara Cristina Guisoni Vera Bohomoletz HenriquesJournal of Physical Chemistry B v. 110, n. 34, p.17188-17194, 2006Washington 2006Acesso online |
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7 |
Material Type: Artigo
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Hydrophobic Hydration in an Orientational Lattice ModelNara Cristina Guisoni Vera Bohomoletz HenriquesJournal of Physical Chemistry B v. 110, n. 34, p.17188-17194, 2006Washington 2006Acesso online |
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8 |
Material Type: Artigo
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Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solutionR C Guedes Kaline Rabelo Coutinho; B J Costa CabralJournal of Physical Chemistry B Washington v. 107. n. 18, p. 4304-4310, 2003Washington 2003Acesso online |
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9 |
Material Type: Artigo
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Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solutionR C Guedes Kaline Rabelo Coutinho; B J Costa Cabral; Sylvio CanutoJournal of Physical Chemistry B v. 107, n. 18, p. 4304-4310, 2003Washington, D.C. 2003Acesso online |
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10 |
Material Type: Artigo
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Differential hydration of phenol and phenoxy radical and the energetics of the phenol O-H bond in solutionR C Guedes Kaline Rabelo Coutinho; B J Costa CabralJournal of Physical Chemistry B Washington v. 107. n. 18, p. 4304-4310, 2003Washington 2003Acesso online |