A simplistic computational procedure for tunneling splittings caused by proton transfer - Tikhonov, Denis S. (Structural chemistry, 2022)
Keywords: Ammonia; Amplitudes; Analysis; Chemistry; Chemistry and Materials Science; Computer Applications in Chemistry; Dimers; Force and energy; Formic acid; Organic acids; Original Research; Physical Chemistry; Potential energy; Protons; Schrodinger equation; Theoretical and Computational Chemistry; Vibrations; Tunneling; Large amplitude motions; Quantum chemistry