Comparison of the proton-transfer path in hydrogen bonds from theoretical potential-energy surfaces and the concept of conservation of bond order. II. (N-H...N)(+) hydrogen bonds
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The quantum-mechanically derived reaction coordinates (QMRC) for the proton transfer in (N-H-N)(+) hydrogen bonds have been derived from ab initio calculations of potential-energy surfaces. A comparison is made between the QMRC and the corresponding bond-order... ...
