Polarization counterpoise corrections to correlated hydrogen bond interaction energies
Author:
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference20 articles.
1. Improved counterpoise corrections for the ab initio calculation of hydrogen bonding interactions
2. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
3. The hydrogen bonding influence on polarizability and hyperpolarizability. A derivative hartree-fock study of the electrical properties of hydrogen fluoride and the hydrogen fluoride dimer
4. A theory of vibrational transition frequency shifts due to hydrogen bonding
5. Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules
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1. Ab initio study of the ammonia-ammonia dimer: BSSE-free structures and intermolecular harmonic vibrational frequencies;International Journal of Quantum Chemistry;2004
2. BSSE-free description of intermolecular force constants in hydrogen fluoride and water dimers;International Journal of Quantum Chemistry;2003
3. Inter- and intramolecular O–H⋯π hydrogen bonding in the methanol–ethene complex and syn -7-norbornenol, probed by IR, 1 H NMR and quantum chemistry;Journal of Molecular Structure;2001-06
4. Bond functions in the description of the water dimer;Journal of Molecular Structure: THEOCHEM;1995-07
5. A possible definition of basis set superposition error;Chemical Physics Letters;1994-01
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