by J Henn · 2004 · Cited by 1 — 39. 2.2. Eigenvalues λi and the density along the bond path in 4,R= tBu, ... between free and bound atoms can be visualized by the deformation density ... It is not clear whether this represents a covalent or an ionic bonding mode or both. ... The ionicity iAB of the A-B bond is derived from the equation: ... This is the data file.
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This book is printed on acid-free paper responsibly manufactured from ... 39. 2.4 Geometry Optimization. 40. 2.4.1 Optimization Algorithms. 41 ... the AB bond length, where the BC bond length is now also treated as frozen ... 29.1. 10.4. 3.9. Br (51). 16.2. 15.2. 8.1. 3.4. I (42). 25.4. 21.7. 13.4. 4.0. Hg (37) ... Hall, M. B. 2000. 3925e8d270
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