Photoexcitation to the S1 state in fluoropyridine enhances N-site chemical shift sensitivity to ring vibrations through charge redistribution, unlike the F site.
Neville, Majed Chergui, Albert Stolow, and Michael S
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Numerical tests on coupled oscillator models show that the local diabatic representation converges faster than the Born-Huang approach for strong vibronic couplings.
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Photoinduced enhancement of chemical shift sensitivity to local vibrations
Photoexcitation to the S1 state in fluoropyridine enhances N-site chemical shift sensitivity to ring vibrations through charge redistribution, unlike the F site.
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Exponential convergence of the local diabatic representation for nonadiabatic models
Numerical tests on coupled oscillator models show that the local diabatic representation converges faster than the Born-Huang approach for strong vibronic couplings.