Theoretical Study of the effects of solvents on global properties of 1 , 10-phenanthroline

@inproceedings{Srivastava2014TheoreticalSO,
  title={Theoretical Study of the effects of solvents on global properties of 1 , 10-phenanthroline},
  author={Kishore K. Srivastava and Shubha Srivastava and Md. Tanweer Alam},
  year={2014}
}
Quantum mechanical calculations of different energies components of 1,10-phenanthroline in ground state were carried out by DFT method , in isolated state and in various solvents to study the effects of solvents on various energy components and global properties. The solvation energy, chemical potential, hardness, electrophilicity of 1,10-phenanthroline… CONTINUE READING