Theoretical determination of molecular structure and conformation. I. The role of basis set and correlation effects in calculations on hydrogen peroxide
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.436434
Reference77 articles.
1. Relaxation during internal rotation ethane and hydrogen peroxyde
2. Theoretical study of the electronic structure and barriers to rotation in H2O2 and H2S2
3. Rotational Barriers in Hydrogen Peroxide
4. Hartree—Fock calculation of the barrier to internal rotation in hydrogen peroxide
5. Polarization functions and geometry optimization inab initio calculations of the rotational barrier in hydrogen peroxide
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