scholarly journals Heteroleptic Amidinate Complexes of Heavy Group 15 Elements - Synthesis, X-ray Crystal Structures and Theoretical Calculations

2009 ◽  
Vol 2009 (15) ◽  
pp. 2247-2253 ◽  
Author(s):  
Benjamin Lyhs ◽  
Stephan Schulz ◽  
Ulrich Westphal ◽  
Dieter Bläser ◽  
Roland Boese ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Theoretical Calculations ◽  
X Ray ◽  
Group 15 ◽  
Heavy Group

scholarly journals The forces between atoms and ions.―II

1926 ◽  
Vol 112 (760) ◽  
pp. 230-234 ◽  
Keyword(s):  
Crystal Structures ◽  
Theoretical Calculations ◽  
Force Constants ◽  
Inert Gases ◽  
Inert Gas ◽  
Published Data ◽  
Divalent Ions ◽  
X Ray

1. This note is supplementary to a paper recently published on the same subject. It extends the results so as to provide a complete table of forces between the monovalent and divalent ions of the inert gas type as well as between the inert gases themselves. The method follows that of the previous paper, in which the forces between ions are deduced from the forces between inert gas atoms by the use of published data on ionic refractivities. The table of force constants, which is given, should have numerous applications in theoretical calculations of crystal structures. It should, for instance, be useful in determining parameters in crystal structures, which are difficult to determine from X-ray measurements.

scholarly journals Single crystal structures and theoretical calculations of uranium endohedral metallofullerenes (U@C2n, 2n = 74, 82) show cage isomer dependent oxidation states for U

2017 ◽  
Vol 8 (8) ◽  
pp. 5282-5290 ◽  
Author(s):  
Wenting Cai ◽  
Roser Morales-Martínez ◽  
Xingxing Zhang ◽  
Daniel Najera ◽  
Elkin L. Romero ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Oxidation State ◽  
Theoretical Calculations ◽  
State Dependence ◽  
Oxidation States ◽  
Metal Oxidation ◽  
X Ray ◽  
Endohedral Metallofullerenes ◽  
Single Crystal Structures

First X-ray structures and metal oxidation state dependence on cage isomerism for U-EMFs.

scholarly journals Binuclear and tetranuclear Zn(ii) complexes with thiosemicarbazones: synthesis, X-ray crystal structures, ATP-sensing, DNA-binding, phosphatase activity and theoretical calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (22) ◽  
pp. 12735-12746 ◽  
Author(s):  
Piyali Adak ◽  
Bipinbihari Ghosh ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Steven R. Herron ◽  
...  
Keyword(s):  
Dna Binding ◽  
Crystal Structures ◽  
Phosphatase Activity ◽  
Theoretical Calculations ◽  
Phosphatase Activities ◽  
X Ray ◽  
Atp Sensing

A binuclear and a tetranuclear zinc(ii) of pyruvaldehyde thiosemicarbazone show selective sensing of ATP at pH 7.4 (0.01 M HEPES) in CH3CN–H2O (9 : 1) medium. The DNA binding and phosphatase activities of the complexes are also reported.

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