Search Results - "Cuervo, Javier E"
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Molecular Dynamics Simulations of DNA/PEI Complexes: Effect of PEI Branching and Protonation State
Published in Biophysical journal (08-06-2011)“…Complexes formed by DNA and polyethylenimine (PEI) are of great research interest because of their application in gene therapy. In this work, we carried out…”
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The Structural Pathway for Water Permeation through Sodium-Glucose Cotransporters
Published in Biophysical journal (19-10-2011)“…Although water permeation across cell membranes occurs through several types of membrane proteins, the only permeation mechanism resolved at atomic scale is…”
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Ab Initio Potential Energy and Dipole Moment Surfaces for CS2: Determination of Molecular Vibrational Energies
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15-08-2013)“…The ground state potential energy and dipole moment surfaces for CS2 have been determined at the CASPT2/C:cc-pVTZ,S:aug-cc-pV(T+d)Z level of theory. The…”
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Ab Initio Potential Energy and Dipole Moment Surfaces for CS sub(2): Determination of Molecular Vibrational Energies
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05-08-2013)“…The ground state potential energy and dipole moment surfaces for CS sub(2) have been determined at the CASPT2/C:cc-pVTZ,S:aug-cc-pV(T+d)Z level of theory. The…”
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Structural Pathway for Water Permeation through Sodium-Glucose Cotransporters
Published in Biophysical journal (01-02-2011)Get full text
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Path Integral Ground State with a Fourth-Order Propagator: Application to Condensed Helium
Published 27-12-2004“…Journal of Chemical Physics 122, 114504 (2005) Ground state properties of condensed Helium are calculated using the Path Integral Ground State (PIGS) method. A…”
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