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Patil, Y A and Ramasesha, S (2017) Tuning spin gap in anthracene and tetracene for singlet fission: An exact PPP model study in the VB basis. In: COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1116 (SI). pp. 151-158.
Khanal, Govinda Prasad and Parajuli, Rajendra and Arunan, Elangannan and Yamabe, Shinichi and Hiraoka, Kenzo and Torikai, Eiko (2015) Study of structures, energies and vibrational frequencies of (O-2)(n)(+) (n=2-5) clusters by GGA and meta-GGA density functional methods. In: COMPUTATIONAL AND THEORETICAL CHEMISTRY, 1056 . pp. 24-36.
Janakiraman, Deepika and Sebastian, KL (2012) Partition function for hindered, one-and multi-dimensional rotors. In: COMPUTATIONAL AND THEORETICAL CHEMISTRY, 988 . pp. 6-12.
