Intramolecular hydrogen bonding and energy estimation in polyhydroxy compounds : a quantum chemical investigation
Deshmukh, Milind Madhusudan
- Pune Savitribai Phule Pune University 2008
Preamble||Hartree-fock theory||Molecular scalar fields||The laplacian of electron density||Neutron inelastic scattering||Hamiltonian operator||Lagrange's method||Configuration interaction||Semi-empirical methods||Ortho-para method