Structural Characterization of Organocuprate reagents. EXAFS Spectroscopy and ab Initio Calculations

1995 ◽  
Vol 117 (50) ◽  
pp. 12489-12497 ◽  
Author(s):  
Timothy L. Stemmler ◽  
Terence M. Barnhart ◽  
James E. Penner-Hahn ◽  
Charles E. Tucker ◽  
Paul Knochel ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structural Characterization ◽  
Exafs Spectroscopy ◽  
Organocuprate Reagents

scholarly journals Magneto-Structural Characterization of Metallocene-Bridged Nitronyl Nitroxide Diradicals by X-Ray, Magnetic Measurements, Solid-state NMR Spectroscopy, and Ab Initio Calculations

2004 ◽  
Vol 10 (14) ◽  
pp. 3354-3354
Author(s):  
Christian Sporer ◽  
Henrike Heise ◽  
Klaus Wurst ◽  
Daniel Ruiz-Molina ◽  
Holger Kopacka ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structural Characterization ◽  
Solid State Nmr ◽  
Magnetic Measurements ◽  
Nitronyl Nitroxide ◽  
X Ray

Magneto-Structural Characterization of Metallocene-Bridged Nitronyl Nitroxide Diradicals by X-Ray, Magnetic Measurements, Solid-state NMR Spectroscopy, and Ab Initio Calculations

2004 ◽  
Vol 10 (6) ◽  
pp. 1355-1365 ◽  
Author(s):  
Christian Sporer ◽  
Henrike Heise ◽  
Klaus Wurst ◽  
Daniel Ruiz-Molina ◽  
Holger Kopacka ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Structural Characterization ◽  
Solid State Nmr ◽  
Magnetic Measurements ◽  
Nitronyl Nitroxide ◽  
X Ray

Thermal, Spectroscopic, and Ab Initio Structural Characterization of Carprofen Polymorphs

2011 ◽  
Vol 100 (6) ◽  
pp. 2321-2332 ◽  
Author(s):  
Giovanna Bruni ◽  
Fabia Gozzo ◽  
Doretta Capsoni ◽  
Marcella Bini ◽  
Piero Macchi ◽  
...  
Keyword(s):  
Ab Initio ◽  
Structural Characterization

Characterization of the Metal−Ceramic Bonding in the Ag/MgO(001) Interface from ab Initio Calculations

2003 ◽  
Vol 107 (43) ◽  
pp. 11893-11899 ◽  
Author(s):  
Björn Herschend ◽  
Kersti Hermansson ◽  
Maria Alfredsson ◽  
Yuri F. Zhukovskii ◽  
Eugene A. Kotomin ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Metal Ceramic

Characterization of Aromatic−Amide(Side-Chain) Interactions in Proteins through Systematic ab Initio Calculations and Data Mining Analyses

2000 ◽  
Vol 104 (19) ◽  
pp. 4521-4532 ◽  
Author(s):  
Guilin Duan ◽  
Vedene H. Smith, ◽  
Donald F. Weaver
Keyword(s):  
Data Mining ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Side Chain ◽  
Aromatic Amide ◽  
Amide Side Chain

Ab initio calculations on monohalogenophosphanes PH2X (X=F,Cl,Br,I), and experimental detection and characterization of PH2F and PH2Cl by high resolution infrared spectroscopy

1994 ◽  
Vol 101 (7) ◽  
pp. 5585-5595 ◽  
Author(s):  
H. Beckers ◽  
H. Bürger ◽  
R. Kuna ◽  
M. Paplewski ◽  
W. Thiel
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Experimental Detection

Structural characterization of β-2′-pyridylaminocrotonoyl-2-pyridylamide by ESI-MS, NMR, single crystal X-ray analysis and ab initio methods

2003 ◽  
Vol 654 (1-3) ◽  
pp. 61-69 ◽  
Author(s):  
Borys Ośmiałowski ◽  
Katri Laihia ◽  
Elina Virtanen ◽  
Maija Nissinen ◽  
Erkki Kolehmainen ◽  
...  
Keyword(s):  
Single Crystal ◽  
Ab Initio ◽  
Structural Characterization ◽  
Ab Initio Methods ◽  
X Ray ◽  
Esi Ms

Structural, Electronic and Optical Characterization of ZnO Thin Film-Seeded Platforms for ZnO Nanostructures: Sol–Gel Method Versus Ab Initio Calculations

2019 ◽  
Vol 48 (8) ◽  
pp. 5028-5038 ◽  
Author(s):  
Qais M. Al-Bataineh ◽  
A. M. Alsaad ◽  
A. A. Ahmad ◽  
A. Al-Sawalmih
Keyword(s):  
Thin Film ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Sol Gel ◽  
Optical Characterization ◽  
Zno Thin Film ◽  
Zno Nanostructures ◽  
Gel Method ◽  
Sol Gel Method
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