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Shielding Surfaces and Rovibrational Averaging

2 Shielding Surfaces and Rovibrational Averaging. - For shielding calculations to mimic exactly what is observed in experiment, not only does one require an accurate equilibrium geometry but also an incorporation of rovibrational averaging is necessary. As an example, Astrand and Ruud have demonstrated that the rovibrational corrections to shielding in the case of in 2-fluorobutane [Pg.70]

See other pages where Shielding Surfaces and Rovibrational Averaging is mentioned: [Pg.63] [Pg.65] [Pg.81] [Pg.77] [Pg.91] [Pg.68] [Pg.80] [Pg.63] [Pg.65] [Pg.81] [Pg.77] [Pg.91] [Pg.68] [Pg.80] [Pg.69] [Pg.2] [Pg.3] [Pg.12] [Pg.16] [Pg.235]

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Average surface

Rovibrational

Rovibrator

Surface shielding