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• balali.ebrahim Theoretical investigations on molecular structure, NBO, HOMO-LUMO and MEP analysis of two crystal structures of N-(2-benzoyl-phenyl) oxalyl: A DFT study [ Vol.13, Issue 2 - Spring Year 2016]
• Bezbaruah.Bipul Ab initio study on the variation of stacking interactions of aniline and hydrated aniline systems [ Vol.13, Issue 1 - Winter Year 2016]
• Bigtan.Mohammad Hosein DFT and HF Studies: Geometry, Hydrogen Bonding, Vibrational Frequencies and Electronic Properties of Enaminones and Their Complexes with Transition Metals [ Vol.13, Issue 1 - Winter Year 2016]