Literature DB >> 9901188

Revision of the Douglas-Kroll transformation.

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Abstract

Year:  1989        PMID： 9901188     DOI： 10.1103/physreva.39.6016

Source DB:  PubMed          Journal:  Phys Rev A Gen Phys        ISSN： 0556-2791


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  24 in total

1.  Small copper-doped silicon clusters CuSin (n = 4-10) and their anions: structures, thermochemistry, and electron affinities.

Authors:  Lin Lin; Jucai Yang
Journal:  J Mol Model       Date:  2015-05-24       Impact factor: 1.810

2.  Substrate and metal control of barrier heights for oxo transfer to Mo and W bis-dithiolene sites.

Authors:  Adam L Tenderholt; Keith O Hodgson; Britt Hedman; Richard H Holm; Edward I Solomon
Journal:  Inorg Chem       Date:  2012-02-28       Impact factor: 5.165

3.  Selective Oxidation of Exogenous Substrates by a Bis-Cu(III) Bis-Oxide Complex: Mechanism and Scope.

Authors:  Tao A G Large; Viswanath Mahadevan; William Keown; T Daniel P Stack
Journal:  Inorganica Chim Acta       Date:  2018-11-22       Impact factor: 2.545

4.  Proton-Electron Transfer to the Active Site Is Essential for the Reaction Mechanism of Soluble Δ9-Desaturase.

Authors:  Daniel Bím; Jakub Chalupský; Martin Culka; Edward I Solomon; Lubomír Rulíšek; Martin Srnec
Journal:  J Am Chem Soc       Date:  2020-05-29       Impact factor: 15.419

5.  Methodological CASPT2 study of the valence excited states of an iron-porphyrin complex.

Authors:  Nadia Ben Amor; Adrien Soupart; Marie-Catherine Heitz
Journal:  J Mol Model       Date:  2017-02-04       Impact factor: 1.810

6.  Assessment of the CCSD and CCSD(T) Coupled-Cluster Methods in Calculating Heats of Formation for Cu Complexes.

Authors:  Michael N Weaver; Kenneth M Merz
Journal:  Mol Phys       Date:  2009-01-01       Impact factor: 1.962

7.  Assessment of the CCSD and CCSD(T) coupled-cluster methods in calculating heats of formation for Zn complexes.

Authors:  Michael N Weaver; Yue Yang; Kenneth M Merz
Journal:  J Phys Chem A       Date:  2009-09-17       Impact factor: 2.781

8.  Density-functional study of the structures and properties of holmium-doped silicon clusters HoSi n (n = 3-9) and their anions.

Authors:  Liyuan Hou; Jucai Yang; Yuming Liu
Journal:  J Mol Model       Date:  2017-03-13       Impact factor: 1.810

9.  L-edge X-ray absorption spectroscopy and DFT calculations on Cu2O2 species: direct electrophilic aromatic attack by side-on peroxo bridged dicopper(II) complexes.

Authors:  Munzarin F Qayyum; Ritimukta Sarangi; Kiyoshi Fujisawa; T Daniel P Stack; Kenneth D Karlin; Keith O Hodgson; Britt Hedman; Edward I Solomon
Journal:  J Am Chem Soc       Date:  2013-11-11       Impact factor: 15.419

10.  Electronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction Reactivity.

Authors:  Martin Srnec; Shaun D Wong; Megan L Matthews; Carsten Krebs; J Martin Bollinger; Edward I Solomon
Journal:  J Am Chem Soc       Date:  2016-04-12       Impact factor: 15.419
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