A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference33 articles.
1. Interplay of Electronic, Environmental, and Vibrational Effects in Determining the Hyperfine Coupling Constants of Organic Free Radicals
2. Quantum Mechanical Computations and Spectroscopy: From Small Rigid Molecules in the Gas Phase to Large Flexible Molecules in Solution
3. Sources of error in electronic structure calculations on small chemical systems
4. A fifth-order perturbation comparison of electron correlation theories
5. Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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