Adsorption energies of NH3 and NH+4 in zeolites corrected for the long‐range electrostatic potential of the crystal
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.467303
Reference21 articles.
1. Proton transfer in zeolites: a comparison between cluster and crystal calculations
2. Exact-exchange Hartree-Fock calculations for periodic systems. I. Illustration of the method
3. Treatment of Coulomb interactions in Hartree-Fock calculations of periodic systems
4. On the role of symmetry in the ab initio hartree-fock linear-combination-of-atomic-orbitals treatment of periodic systems
5. Quantum-chemical model calculations on the acidic site of zeolites including Madelung-potential effects
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