Potential curves are obtained for the protonic motion within the N–H···N hydrogen bond in a charge‐transfer excited state, and in ground states of the cation and anion of the guanine—cytosine base pair, using approximate SCF wavefunctions obtained by the authors in an earlier study. For these states and the ground state, estimates are made of the tunneling rate and equilibrium between the two proton positions of minimum energy.
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P.‐O. Löwdin, Biopolymers, Symp. No. 1, 161–181 (1964).
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P.‐O. Löwdin, Biopolymers, Symp. No. 1, 293–311 (1964).
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P.‐O. Löwdin in Electronic Aspects of Biochemistry (Academic Press Inc., New York, 1964), pp. 167–201.
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R. Rein and F. E. Harris, Technical Report QB 12, Quantum Chemistry Group, University of Uppsala;
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P.‐O. Löwdin, Technical Report QB 7, Quantum Chemistry Group, University of Uppsala.
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© 1965 American Institute of Physics.
1965
American Institute of Physics
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