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Boaz G. Oliveira 《Structural chemistry》2014,25(3):745-753
An innovative theoretical study of intermolecular properties of standard hydrogen-bonded complexes of H2O···HCF3, NH3···HCF3, H2O···HF, and NH3···HF is presented in this work. Several computational strategies were used, so initially the MP2/6-311++G(d,p) level of theory was applied to determine the optimized geometries by which the structural parameters, electronic properties, and the stretch vibration modes of these systems were examined. By taking into account the infrared spectrum analysis, the frequency shifted either to the red- or blue-region is the principal interpretation upon formation of intermolecular complexes. Due to this, the analysis of the interaction strengths corroborates with these vibration behaviors, and besides, the Natural Bond Orbital calculations revealed systematic changes in the percentage of the s and p orbitals, by which the stretch deformations on the proton donors (HF and HCF3) could be understood. In advance, it was quoted the appearing of intermolecular covalence in these complexes, and this event could be theoretically discovered through the topological computations based on the Bader's Quantum Theory of Atoms in Molecules. 相似文献
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In the context of cognition, categorization is the process through which several elements (i.e., words) are grouped into a single set which by naming becomes an abstraction of its elements. For example, tiger, kitty, and max can be categorized as Cats. In this article, we aim to show how the physical, biological and cognitive dimensions are related in the process of categorization or abstraction through the physics of computation. Drawing on Landauer's principle, we show that the price paid in terms of entropy is higher when grouping elements of low ranking (high probability) than when grouping elements of high ranking (low probability). Therefore, the logic of the cognitive process of abstraction is explained through constraints imposed by memory on the computation of categories. © 2015 Wiley Periodicals, Inc. Complexity 21: 269–274, 2016 相似文献
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The Soreq Applied Research Accelerator Facility (SARAF): Overview,research programs and future plans
Israel Mardor Ofer Aviv Marilena Avrigeanu Dan Berkovits Adi Dahan Timo Dickel Ilan Eliyahu Moshe Gai Inbal Gavish-Segev Shlomi Halfon Michael Hass Tsviki Hirsh Boaz Kaiser Daniel Kijel Arik Kreisel Yonatan Mishnayot Ish Mukul Ben Ohayon Michael Paul Amichay Perry Hitesh Rahangdale Jacob Rodnizki Guy Ron Revital Sasson-Zukran Asher Shor Ido Silverman Moshe Tessler Sergey Vaintraub Leo Weissman 《The European Physical Journal A - Hadrons and Nuclei》2018,54(5):91
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In this paper, we show that the well-known duality operation in the context of convex bodies in Rn is completely characterized by its property of interchanging sections with projections. Our results are compared to results by Böröczky-Schneider and Artstein-Milman, who showed that in many cases, the property of order reversing is sufficient to determine a duality operation, up to obvious linear modifications. In fact, we provide another result that recovers a known characterization of duality by the property of order reversing, and up to a mild condition, also a characterization of duality by interchanging sections by projections. 相似文献
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Boaz Golany Konstantin Kogan Uriel G. Rothblum 《Journal of Optimization Theory and Applications》2011,148(2):336-363
We generalize a static two-agent location problem into dynamic, asymmetric settings. The dynamics is due to the ability of
the agents to move at limited speeds. Since each agent has its own objective (demand) function and these functions are interdependent,
decisions made by each agent may affect the performance of the other agent and thus affect the overall performance of the
system. We show that, under a broad range of system’s parameters, centralized (system-wide optimal) and non-cooperative (Nash)
behavior of the agents are characterized by a similar structure. The timing of these trajectories and the intermediate speeds
are however different. Moreover, non-cooperative agents travel more and may never rest and thus the system performance deteriorates
under decentralized decision-making. We show that a static linear reward approach, recently developed in Golany and Rothblum
(Nav. Res. Logist. 53(1):1–15, 2006), can be generalized to provide coordination of the moving agents and suggest its dynamic modification. When the reward scheme
is applied, the agents are induced to choose the system-wide optimal solution, even though they operate in a decentralized
decision-making mode. 相似文献