Computational Studies of Crystal Structure and Bonding

2011 ◽  
pp. 1-32 ◽  
Author(s):  
Angelo Gavezzotti
Keyword(s):  
Crystal Structure ◽  
Computational Studies ◽  
Structure And Bonding

X-ray Crystal Structure of Thorium Tetrahydroborate, Th(BH4)4, and Computational Studies of An(BH4)4 (An = Th, U)

2021 ◽  
Author(s):  
Andrew C. Dunbar ◽  
Joseph C. Wright ◽  
Daniel J. Grant ◽  
Gregory S. Girolami
Keyword(s):  
Crystal Structure ◽  
Computational Studies ◽  
X Ray

scholarly journals Crystal Structure and Bonding in BaAu5Ga2 and AeAu4+xGa3–x (Ae = Ba and Eu): Hexagonal Diamond-Type Au Frameworks and Remarkable Cation/Anion Partitioning in the Ae–Au–Ga Systems

2014 ◽  
Vol 54 (3) ◽  
pp. 1010-1018 ◽  
Author(s):  
Volodymyr Smetana ◽  
Simon Steinberg ◽  
Nathan Card ◽  
Anja-Verena Mudring ◽  
Gordon J. Miller
Keyword(s):  
Crystal Structure ◽  
Hexagonal Diamond ◽  
Structure And Bonding ◽  
Diamond Type

Structure and Bonding of Bromoantimonate (III) Complexes with Unusual Valency by Means of NQR and Powder X-Ray Diffraction

1994 ◽  
Vol 49 (1-2) ◽  
pp. 185-192 ◽  
Author(s):  
Tsutomu Okuda ◽  
Yoshihiro Kinoshita ◽  
Hiromitsu Terao ◽  
Koji Yamada
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Bond Length ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Bonding ◽  
Bond Character

Abstract NQR and powder X-ray diffraction were observed for several bromoantimonate (III) complexes which contain CnH2n+1NH3 (n = 1 -3) or (CnH2n+1)2NH2(n = 1 -4) as a cation. The bond character, anion structure, crystal structure, and phase transition are discussed on the basis of the three-center-four-electron bond. A good correlation was found between the halogen NQR frequency and the Sb-X bond length.

Conformations of cyclic heptapeptides: crystal structure and computational studies of evolidine

1991 ◽  
Vol 113 (12) ◽  
pp. 4410-4416 ◽  
Author(s):  
Drake S. Eggleston ◽  
Paul W. Baures ◽  
Catherine E. Peishoff ◽  
Kenneth D. Kopple
Keyword(s):  
Crystal Structure ◽  
Computational Studies
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