18,452 research outputs found
XYZ coordinates of structures related to the mechanism of chromophore hydrolysis in photoactivated rhodopsin
No full textThis compressed file contains structures in XYZ format organized in four directories, one per hydrolysis path studied in the manuscript (Figure 7): "Chromophore Hydrolysis and Release from Photoactivated Rhodopsin in Native Membranes and Formation of Retinylidene-Phosphatidylethanolamines" by John D. Hong, David Salom, Michał Andrzej Kochman, Adam Kubas, Philip Kiser, Krzysztof Palczewski (to be submitted).Path I is for high pH, Meta-I/III proteins, protonated Schiff base, Glu113 & Glu181 deprotonated.Path II is for low pH, Meta-II protein, deprotonated Schiff base, Glu113 protonated, Glu181 deprotonated.Structures were obtained in QM1-QM2 hybrid calculations (r2SCAN QM1, GFN2-XTB QM2).</p
Supplementary Information for study Cationic-anionic complexes of Cu(II) and Co(II) with N-scorpionate ligand – structure, spectroscopy, and catecholase activity
No full textThese are supplementary informations for publication "Cationic-anionic complexes of Cu(II) and Co(II) with N-scorpionate ligand – structure, spectroscopy, and catecholase activity" by Małgorzata Zienkiewicz-Machnik, Roman Luboradzki, Justyna Mech-Piskorz, Gonzalo Angulo, Wojciech Nogala, Tomasz Ratajczyk, Pavlo Aleshkevych, Adam Kubaspublished in Dalton Trans. 2025 DOI https://doi.org/10.1039/D4DT03478CSet contains: structure analysis, FTIR, NMR, UV-VIS and EPR spectra as well as electrochemical measurements calculations outcomes.</p
Details of simulations: Theoretical Study of the Photoisomerization Mechanism of All-Trans-Retinyl Acetate
No full textChoice of active space in CASSCF calculations; investigation of the role of the one-bond-flip mechanism in the photoisomerization reaction of all-trans-RAc; XMS(6)-CASPT2/cc-pVDZ excited-state geometry of tEtEtEc-26DMDP; and molecular geometries in Cartesian coordinates.</p
Supporting information for Regioisomerism vs conformation: impact of molecular design on the emission pathway in OLED emitters
No full textThe set contains supporting information for the paper "Regioisomerism vs conformation: impact of molecular design on the emission pathway in OLED emitters" ACS Appl. Mater. Interfaces 2024, 16, 18, 23654–23667The includes spectra and details and outcomes of quantum chemical calculations.</p
ADAM SMITH'S OPTIMISTIC TELEOLOGICAL VIEW OF HISTORY
No full textAdam Smith's four-stage theory provides the framework for his writings on history. The fourth stage is the commercial epoch; the culmination of history in this stage is a key component in the conventional interpretation of Adam Smith as a prophet of commercialism. In two historical case studies Smith shows the capacity of commercial society to regenerate itself. This potent capacity suggests that commercial society is inevitable. At a certain point in time it also overcomes the major obstacles to its permanence. Smith's philosophy of history anticipates the end of history views of Kant and Hegel.Political Economy,
How Might Adam Smith Pay Professors Today?
No full textAdam Smith’s proposal for paying professors was intended to induce increased faculty knowledge. If students have imperfect information about what they learn, and universities can only imperfectly measure the input of faculty time in student learning, publications may be used to measure faculty knowledge. If professors’ ability to publish is positively related to their ability to produce student learning, which universities can imperfectly measure, publications may be necessary to attract more able professors. Since research signals faculty knowledge, schools that do not value publications per se could require higher publication standards and pay higher wages than schools that value only publications.
ADAM SMITH'S VIEW OF HISTORY: CONSISTENT OR PARADOXICAL?
No full textThe conventional interpretation of Adam Smith is that he is a prophet of commercialism. The liberal capitalist reading of Smith is consistent with the view that history culminates in commercial society. The first part of the article develops this optimistic interpretation of Smith's view of history. Smith implies that commercial society is the end of history because 1) it supplies the ends of nature that he identifies; 2) it is inevitable; and 3) it is permanent. The second part of the article shows that Smith has some dark moments in his writings where he seems to reject completely such teleological notions. In this more civic humanist mood he confesses that commercial society does not supply the ends of nature, nor is it inevitable, nor is it permanent. Both views exist in Smith and the commentator is forced to choose between passages in Smith's work in order to support a particular interpretation of the former's view of history.Political Economy,
Ewa Kubas, Zbiórki publiczne w świetle prawa administracyjnego, Wydawnictwo Uniwersytetu Rzeszowskiego, Rzeszów 2021
No full textPrzegląd polskich opracowań naukowych: Ewa Kubas, Zbiórki publiczne w świetle prawa administracyjnego, Wydawnictwo Uniwersytetu Rzeszowskiego, Rzeszów 2021, ss. 268, ISBN 978-83-7996-920-
Adam Smith and Roman Servitudes
No full textThis essay is a preprint of an article that appeared at: Tijdschrift voor Rechstsgeschiedenis, 72 (2004), 327–57.This essay discusses Adam Smith historical jurisprudence and his use of Roman law materials in his Lectures on Jurisprudence. It argues that Smith found it difficult to maintain his theory of legal development in the face of a highly developed body of Roman law literature
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