Conformational behaviours of 2-substituted cyclohexanones: a complete basis set, hybrid-DFT study and NBO interpretation

Author: Azarakhshi Fatemeh   Nori-Shargh Davood   Attar Hosein   Masnabadi Nasrin   Yahyaei Hooriye   Mousavi Seiedeh Negar   Boggs James E.  

Publisher: Taylor & Francis Ltd

ISSN: 0892-7022

Source: Molecular Simulation, Vol.37, Iss.14, 2011-12, pp. : 1207-1220

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