A local density‐functional study of the electron density distribution in the H2O dimer
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.455554
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1. A new energy decomposition scheme for molecular interactions within the Hartree-Fock approximation
2. Natural bond orbital analysis of near‐Hartree–Fock water dimer
3. Natural bond orbital analysis of molecular interactions: Theoretical studies of binary complexes of HF, H2O, NH3, N2, O2, F2, CO, and CO2 with HF, H2O, and NH3
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