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An analytical expression for interatomic surfaces in the theory of atoms in molecules

✍ Scribed by P. L. A. Popelier


Publisher
Springer
Year
1994
Tongue
English
Weight
819 KB
Volume
87
Category
Article
ISSN
1432-2234

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✍ J. Fernández Rico; R. López; G. Ramírez; I. Ema; E. V. Ludeña 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 157 KB

## Abstract We present analytic refinements and applications of the deformed atomic densities method [Fernández Rico, J.; López, R.; Ramírez, G. J Chem Phys 1999, 110, 4213–4220]. In this method the molecular electron density is partitioned into atomic contributions, using a minimal deformation cri