297 research outputs found
Exploring chemistry through the source function for the electron and the electron spin densities
No full textThe Source Function, a chemical descriptor introduced by Bader and Gatti in 1998, represents a challenging tool to see the electron density from an unusual perspective. Namely, as caused, at any point in the space, by source contributions operating at all other points of space. Summing up the local sources over the atomic basins of a system, enable us to regard the electron density at any system’s location as determined by smaller or larger contributions from all the atoms or group of atoms of the system. Such decomposition of sources provides valuable chemical insight and it may be applied, on the same grounds, to theoretically or experimentally derived electron densities. Two recent Source Function developments, specifically its application to detect subtle electron delocalization effects and its extension to the electron spin density sources are reviewed through this chapter. An original application, as viewed through the eyes of the Source Function, then follows each illustrated development. Precisely: (a) the electron delocalization mechanisms in complex and non planar aromatic systems, like the homotropylium cation and the 1,6-methano[10]annulene, and (b) the spin density transferability properties in a series of n-alkyl radicals
Compton polarimetry with a 36-fold segmented HPGe-detector of the AGATA-type
No full textThe calibration of a highly-segmented AGATA-type HPGe-detector as a γ-ray Compton polarimeter and a method for (quasi-)continuous angle Compton polarimetry are presented. The high granularity, combined with the large detection efficiency of the AGATA-type HPGe-crystals, offers a significant advantage for polarization measurements of γ-radiation. A polarization-directional correlation experiment with γ-rays from a 60Co source with an activity of about 680 kBq was used to determine the polarization sensitivity of a single AGATA-type HPGe-crystal at 1173 and 1332 keV and to demonstrate the method. The polarization measurement was based on segment information. In our set-up a polarization sensitivity of 19% at 1332 keV has been achieved
CCDC 1530203: Experimental Crystal Structure Determination
No full textZAWPOF : bis(μ-N,N'-bis(tri-isopropylsilyl)benzene-1,2-diamide)-bis(bis(trimethylsilyl)amide)-tri-iron n-pentane solvate Space Group: P 1 (2), Cell: a 9.1660(8)Å b 15.4349(14)Å c 16.5204(15)Å, α 62.594(2)° β 80.560(2)° γ 87.864(2)° Related Article: Kirill Yu. Monakhov, Jan van Leusen, Paul Kögerler, Emilie-Laure Zins, M. Esmaïl Alikhani, Moniek Tromp, Andreas A. Danopoulos and Pierre Braunstein|2017|Chem.-Eur.J.|23|6504|doi:10.1002/chem.201700496,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
CCDC 1530201: Experimental Crystal Structure Determination
No full textZAWPEV : bis(μ-N,N'-bis(trimethylsilyl)benzene-1,2-diamide)-bis(tetrahydrofuran)-di-cobalt tetrahydrofuran solvate Space Group: C 2/c (15), Cell: a 24.8742(7)Å b 11.5362(3)Å c 19.0143(5)Å, α 90° β 122.8850(10)° γ 90° Related Article: Kirill Yu. Monakhov, Jan van Leusen, Paul Kögerler, Emilie-Laure Zins, M. Esmaïl Alikhani, Moniek Tromp, Andreas A. Danopoulos and Pierre Braunstein|2017|Chem.-Eur.J.|23|6504|doi:10.1002/chem.201700496,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
CCDC 1530199: Experimental Crystal Structure Determination
No full textZAWNUJ : bis(μ-N,N'-bis(tri-isopropylsilyl)benzene-1,2-diamide)-bis(bis(trimethylsilyl)amide)-tri-cobalt Space Group: P 1 (2), Cell: a 9.1676(4)Å b 13.1857(6)Å c 15.8728(7)Å, α 97.8630(10)° β 94.3390(10)° γ 96.6320(10)° Related Article: Kirill Yu. Monakhov, Jan van Leusen, Paul Kögerler, Emilie-Laure Zins, M. Esmaïl Alikhani, Moniek Tromp, Andreas A. Danopoulos and Pierre Braunstein|2017|Chem.-Eur.J.|23|6504|doi:10.1002/chem.201700496,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
CCDC 1530202: Experimental Crystal Structure Determination
No full textZAWPIZ : (18-crown-6)-bis(tetrahydrofuran)-potassium bis(μ-N,N'-bis(tri-isopropylsilyl)benzene-1,2-diamide)-bis(bis(trimethylsilyl)amide)-tri-cobalt tetrahydrofuran solvate Space Group: C 2/c (15), Cell: a 25.668(5)Å b 28.576(6)Å c 16.503(3)Å, α 90° β 91.279(6)° γ 90° Related Article: Kirill Yu. Monakhov, Jan van Leusen, Paul Kögerler, Emilie-Laure Zins, M. Esmaïl Alikhani, Moniek Tromp, Andreas A. Danopoulos and Pierre Braunstein|2017|Chem.-Eur.J.|23|6504|doi:10.1002/chem.201700496,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
CCDC 1530200: Experimental Crystal Structure Determination
No full textZAWPAR : (μ-N,N'-bis(tri-isopropylsilyl)benzene-1,2-diamide)-bis(tetrahydrofuran)-di-lithium Space Group: P 21/c (14), Cell: a 19.0882(7)Å b 15.9175(6)Å c 11.7278(4)Å, α 90° β 90.3800(10)° γ 90° Related Article: Kirill Yu. Monakhov, Jan van Leusen, Paul Kögerler, Emilie-Laure Zins, M. Esmaïl Alikhani, Moniek Tromp, Andreas A. Danopoulos and Pierre Braunstein|2017|Chem.-Eur.J.|23|6504|doi:10.1002/chem.201700496,An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
The adding up problem
No full textThis paper presents empirical evidence pertaining to the"adding up problem"and the"fallacy of composition". It is shown that, rather than market constraint in the developed countries, export growth in the developing countries is largely determined by supply factors. Thus, the deceleration of economic growth in the developed countries after 1973 was accompanied by an acceleration of the growth of the exports of the developing countries. The findings of this paper have important policy implications. They support the views of those who advocate the application of outward-oriented policies in developing countries. This conclusion is strengthened if consideration is given to the possibilities of increased trade among the developing countries themselves. Finally, outward orientation promotes efficient import substitution through the reform of the system of incentives.Water and Industry,Environmental Economics&Policies,Achieving Shared Growth,Economic Theory&Research,Poverty Assessment
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