The weak covalent bond in NgAuF (Ng=Ar, Kr, Xe): A challenge for subsystem density functional theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.3297886
Reference67 articles.
1. IMOMM: A new integratedab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states
2. Fragment molecular orbital method: an approximate computational method for large molecules
3. Molecular fractionation with conjugate caps for full quantum mechanical calculation of protein–molecule interaction energy
4. A New Algorithm for Molecular Fragmentation in Quantum Chemical Calculations
5. QM/MM Methods for Biomolecular Systems
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