Instanton calculations of tunneling splittings in chiral molecules. - Nityananda Sahu; Jeremy O. Richardson; Robert Berger (J. Comput. Chem., 2021)

MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level. - Subodh Khire; Nityananda Sahu; Shridhar R. Gadre (Comput. Phys. Commun., 2022)