Potassium fluoride–succinic acid adduct: a fully refined X-ray crystal-structure determination, ab initio calculations of a model system, and the infrared spectrum of a very strong hydrogen-bonded system

1982 ◽  
pp. 809-813 ◽  
Author(s):  
John Emsley ◽  
Deborah J. Jones ◽  
Ruth S. Osborn ◽  
Richard E. Overill
Keyword(s):  
Crystal Structure ◽  
Infrared Spectrum ◽  
Ab Initio Calculations ◽  
Succinic Acid ◽  
Ab Initio ◽  
Structure Determination ◽  
Potassium Fluoride ◽  
Model System ◽  
X Ray ◽  
Acid Adduct

scholarly journals Halogen and Hydrogen Bonding Benzothiophene Diol Derivatives: A Study Using ab initio Calculations and X-Ray Crystal Structure Measurements

ChemistryOpen ◽  
2014 ◽  
Vol 4 (2) ◽  
pp. 161-168 ◽  
Author(s):  
Enzo Cadoni ◽  
Giulio Ferino ◽  
Patrizia Pitzanti ◽  
Francesco Secci ◽  
Claudia Fattuoni ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray

Synthesis of two new thioesters bearing ferrocene: Vibrational characterization and ab initio calculations. X-ray crystal structure of S-(2-methoxyphenyl)ferrocenecarbothioate

Polyhedron ◽  
2010 ◽  
Vol 29 (2) ◽  
pp. 827-832 ◽  
Author(s):  
Isabel C. Henao Castañeda ◽  
Carlos O. Della Védova ◽  
Oscar E. Piro ◽  
Nils Metzler-Nolte ◽  
Jorge L. Jios
Keyword(s):  
Crystal Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
X Ray ◽  
Vibrational Characterization

Ab initio structure determination of In2H2(P2O7)(P4O12) from X-ray powder diffraction data

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
L. S. Ivashkevich ◽  
A. S. Lyakhov ◽  
A. F. Selevich ◽  
A. I. Lesnikovich
Keyword(s):  
Crystal Structure ◽  
Ab Initio ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Ab Initio Structure

AbstractThe crystal structure of In

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