malonaldehyde

Combining the nuclear-electronic orbital approach with vibronic coupling theory: Calculation of the tunneling splitting for malonaldehyde

111. A. Hazra, J.H. Skone, and S. Hammes-Schiffer, “Combining the nuclear-electronic orbital approach with vibronic coupling theory: Calculation of the tunneling splitting for malonaldehyde,” J. Chem. Phys. 130, 054108 (2009).