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1 |
Material Type: Artigo
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1-Butanol absorption in poly(styrene-divinylbenzene) ion exchange resins for catalysisPérez-Maciá, M. A ; Curcó, D ; Bringué, R ; Iborra, M ; Rodríguez-Ropero, F ; van der Vegt, N. F. A ; Aleman, CarlosSoft matter, 2015-01, Vol.11 (47), p.9144-9149 [Periódico revisado por pares]EnglandTexto completo disponível |
2 |
Material Type: Artigo
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1H Nuclear Spin Relaxation of Liquid Water from Molecular Dynamics SimulationsCalero, C ; Martí, J ; Guàrdia, EThe journal of physical chemistry. B, 2015-02, Vol.119 (5), p.1966-1973 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
3 |
Material Type: Artigo
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Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction fieldDomingo Toro, Alex ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Graaf, Coen de ; Broer, RiaPhysical review. E, Statistical, nonlinear, and soft matter physics, 2013-03American Physical SocietyTexto completo disponível |
4 |
Material Type: Artigo
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Ab initio absorption spectrum of NiO combining molecular dynamics with the embedded cluster approach in a discrete reaction fieldDomingo Toro, Alex ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Graaf, Coen de ; Broer, RiaAmerican Physical Society 2012Texto completo disponível |
5 |
Material Type: Artigo
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Ab initio, variational transition state theory and quasiclassical trajectory study on the lowest 2A' potential enegy surface involved in the N(2D) + O2(X3Σg-) → O(3P) + NO(X2Π) atmospheric reactionGonzález Pérez, Miguel ; Miquel, Irene ; Sayós Ortega, RamónAmerican Institute of Physics 2001-08Texto completo disponível |
6 |
Material Type: Tese
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Actividad de la proteina intrínsecamente desordenada p15(PAF) en el replisoma o cómo el desorden orquesta la replicación celularBarrera Vilarmau, SusanaUniversitat de Barcelona 2022Texto completo disponível |
7 |
Material Type: Tese
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Actividad de la proteina intrínsecamente desordenada p15(PAF) en el replisoma o cómo el desorden orquesta la replicación celularBarrera Vilarmau, SusanaUniversitat de Barcelona 2022Texto completo disponível |
8 |
Material Type: Artigo
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Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilitiesBishop, David M ; Luis Luis, Josep Maria ; Kirtman, BernardThe Journal of chemical physics, 2011-02 [Periódico revisado por pares]American Institute of PhysicsTexto completo disponível |
9 |
Material Type: Artigo
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Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilitiesBishop, David M ; Luis Luis, Josep Maria ; Kirtman, BernardAmerican Institute of Physics 1998Texto completo disponível |
10 |
Material Type: Artigo
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Adsorption of hydrogen molecules on carbon nanotubes using quantum chemistry and molecular dynamicsFaginas-Lago, Noelia ; Yeni, D ; Huarte Larrañaga, Fermín ; Wang, Y ; Alcamí, M ; Martin, FAmerican Chemical Society 2016-07Texto completo disponível |