Crystal Structure and DFT Calculations of Bis(tetrahydridoborato)bis(cyclopentadienyl)zirconium(IV)

2021 ◽  
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Carly C. Carter ◽  
Sergio Rocha ◽  
Christina J. Thomas ◽  
Kevin Falcon ◽  
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Keyword(s):  
Crystal Structure ◽  
Dft Calculations

Crystal structure, spectroscopic, DFT calculations and antimicrobial study of the Cu(II) complex bearing second-generation quinolone ofloxacin and 2,2′-bipyridine

2021 ◽  
Vol 519 ◽  
pp. 120264
Author(s):  
Joshua Ayoola Obaleye ◽  
Misitura Lawal ◽  
Rajendrasinh N. Jadeja ◽  
Vivek Kumar Gupta ◽  
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Crystal Structure ◽  
Dft Calculations ◽  
Second Generation ◽  
Antimicrobial Study

Synthesis, characterization, crystal structure and density functional theory (DFT) calculations of dioxomolybdenum (VI) complexes of an ONS donor ligand derived from benzoylacetone and S-benzyl dithiocarbazate

Polyhedron ◽  
2013 ◽  
Vol 50 (1) ◽  
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Sathi Roychowdhury ◽  
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Crystal Structure ◽  
Density Functional Theory ◽  
Dft Calculations ◽  
Density Functional ◽  
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ChemInform Abstract: (Ph4P)2[Be3(μ-OH)3(H2O)6] Cl5: Crystal Structure and DFT Calculations.

ChemInform ◽  
2009 ◽  
Vol 40 (38) ◽  
Author(s):  
Ralph Puchta ◽  
Bernhard Neumueller ◽  
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Crystal Structure ◽  
Dft Calculations

A novel supramolecular compound of cadmium(II): Synthesis, characterization, crystal structure, ab initio HF, DFT calculations and solution study

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Vol 919 (1-3) ◽  
pp. 381-388 ◽  
Author(s):  
Hossein Aghabozorg ◽  
Faranak Manteghi ◽  
Mohammad Ghadermazi ◽  
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Crystal Structure ◽  
Dft Calculations ◽  
Ab Initio ◽  
Supramolecular Compound ◽  
Solution Study ◽  
Ab Initio Hf
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