Search Results - "Rosta, E."
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Tracking Nanoelectrochemistry Using Individual Plasmonic Nanocavities
Published in Nano letters (09-08-2017)“…We study in real time the optical response of individual plasmonic nanoparticles on a mirror, utilized as electrodes in an electrochemical cell when a voltage…”
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Interaction of chemical bonds. V. Perturbative corrections to geminal-type wave functions
Published in International journal of quantum chemistry (2000)“…Antisymmetrized products of strongly orthogonal geminals (APSG) and approximations thereof, provide a variational and size‐consistent wave function but do not…”
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PCN28 CYCLIN-DEPENDENT KINASE 4/6 INHIBITORS (CDK4/6I) IN HORMONE RECEPTOR-POSITIVE/HUMAN EPIDERMAL GROWTH FACTOR RECEPTOR 2-NEGATIVE (HR+/HER2-) ADVANCED/METASTATIC BREAST CANCER (A/MBC): A SYSTEMATIC LITERATURE REVIEW OF REAL-WORLD EVIDENCE (RWE) STUDIES
Published in Value in health (01-05-2020)Get full text
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Towards Accurate Ab Initio QM/MM Calculations of Free-Energy Profiles of Enzymatic Reactions
Published in The journal of physical chemistry. B (16-02-2006)“…Reliable studies of enzymatic reactions by combined quantum mechanical/molecular mechanics (QM/MM) approaches, with an ab initio description of the quantum…”
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On Possible Pitfalls in ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions
Published in The journal of physical chemistry. B (18-08-2005)“…Reliable studies of enzymatic reactions by combined quantum mechanics/molecular mechanics (QM/MM) approaches, with an ab initio description of the quantum…”
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Covalent bond orders and atomic valences from correlated wavefunctions
Published in Chemical physics letters (1999)“…A comparison is made between two alternative definitions for covalent bond orders: one derived from the exchange part of the two-particle density matrix and…”
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Geometry and electronic structure of bis(tetrahydridoborato)bis(cyclopentadienyl)zirconium(IV)
Published in Journal of organometallic chemistry (20-06-1999)“…The geometry and the electronic structure of the title compound was investigated by UV photoelectron spectroscopy, X-ray diffraction and ab initio…”
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Centering spirituality in the academy: Decolonizing implications
Published 01-01-2005“…This thesis examines how spirituality can become integral to public secular education, and the decolonizing implications of centering spirituality in the…”
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Dissertation