Towards a new correction method for the basis set superposition error: Application to the ammonia dimer
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.468593
Reference19 articles.
1. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
2. Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules
3. Improved counterpoise corrections for the ab initio calculation of hydrogen bonding interactions
4. Natural bond orbital analysis of near‐Hartree–Fock water dimer
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1. Calculation of strong and weak interactions in TDA1 and RangDP52 by the kernel energy method;Proceedings of the National Academy of Sciences;2009-02-20
2. Inversion symmetry and local vs. dispersive interactions in the nucleation of hydrogen bonded cyclic n-mer and tape of imidazolecarboxamidines;Beilstein Journal of Organic Chemistry;2008-07-07
3. A combined computational and experimental approach for investigating a hydrogen-bonded supermolecular compound comprising benzimidazole and malonic acid;International Journal of Quantum Chemistry;2008
4. Hydrogen bond in FH…FM (M = Li, Na, K) dimers: Nonempirical calculations;Russian Journal of Physical Chemistry A;2007-07
5. Basis Set Superposition Errors: Theory and Practice;Reviews in Computational Chemistry;2007-01-05
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