...LAPW
Linear Augmented Plane Waves
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...LCAO
Linear Combination of Atomic Orbitals
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...

There are two Ti-O bond lengths in bulk rutile.
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...

Calculated using a LDA-corrected Hartree-Fock technique [55]
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...

Value obtained from [56]
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...{180,180}
Points on the conformational energy maps are denoted 216#216, where the angles are given in degrees.
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...gauche
A trans arrangement indicates a dihedral angle between 225#225 and 226#226, while a gauche arrangement about a bond indicates a dihedral angle between 227#227 and 228#228.
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...

The Brookhaven Protein Database
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...complex
The bond populations given are for the systems without an 241#241-coordinated water molecule.
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Matthew Segall
Wed Sep 24 12:24:18 BST 1997