Extending Hirshfeld-I to bulk and periodic materials
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference61 articles.
1. Atoms in molecules, an axiomatic approach. I. Maximum transferability
2. Atomic Charges Are Measurable Quantum Expectation Values: A Rebuttal of Criticisms of QTAIM Charges
3. An Experimentalist's Reply to “What Is an Atom in a Molecule?”
4. What Is an Atom in a Molecule?
5. Electronic Structures of Molecules XI. Electroaffinity, Molecular Orbitals and Dipole Moments
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