Search Results - "Rosta, E."

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  1. 1

    Tracking Nanoelectrochemistry Using Individual Plasmonic Nanocavities by Di Martino, G, Turek, V. A, Lombardi, A, Szabó, I, de Nijs, B, Kuhn, A, Rosta, E, Baumberg, J. J

    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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    Journal Article
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    Interaction of chemical bonds. V. Perturbative corrections to geminal-type wave functions by Rosta, E., Surján, P. R.

    “…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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    Journal Article
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    Towards Accurate Ab Initio QM/MM Calculations of Free-Energy Profiles of Enzymatic Reactions by Rosta, Edina, Klähn, Marco, Warshel, Arieh

    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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    Journal Article
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    On Possible Pitfalls in ab Initio Quantum Mechanics/Molecular Mechanics Minimization Approaches for Studies of Enzymatic Reactions by Klähn, Marco, Braun-Sand, Sonja, Rosta, Edina, Warshel, Arieh

    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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    Journal Article
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    Covalent bond orders and atomic valences from correlated wavefunctions by Ángyán, János G., Rosta, Edina, Surján, Péter R.

    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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    Journal Article
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    Geometry and electronic structure of bis(tetrahydridoborato)bis(cyclopentadienyl)zirconium(IV) by Sztáray, Bálint, Rosta, Edina, Böcskey, Zsolt, Szepes, László

    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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    Journal Article
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    Centering spirituality in the academy: Decolonizing implications by Rosta, Caroline L. E

    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