| 1 |
Molecular orbital and density functional study of the formation, charge transfer, bonding and the conformational isomerism of the boron trifluoride (BF3) and ammonia (NH3) donor-acceptor complex
Ghosh DC, Bhattacharyya S
International Journal of Molecular Sciences, 5(8-10), 239, 2004 |
| 2 |
Post Hartree-Fock and DFT Studies on Pyrrole center dot center dot center dot Nitrogen and Pyrrole center dot center dot center dot Carbon Monoxide Molecules
Kanakaraju R, Kolandaivel P
International Journal of Molecular Sciences, 3(7), 777, 2002 |
| 3 |
Theoretical study of the double proton transfer in the CHX-XH center dot center dot center dot CHX-XH (X = O, S) complexes
Jaque P, Toro-Labbe A
Journal of Physical Chemistry A, 104(5), 995, 2000 |
| 4 |
Characterization of keto-enol tautomerism of acetyl derivatives from the analysis of energy, chemical potential, and hardness
Perez P, Toro-Labbe A
Journal of Physical Chemistry A, 104(7), 1557, 2000 |
| 5 |
Characterization of chemical reactions from the profiles of energy, chemical potential and hardness
Toro-Labbe A
Journal of Physical Chemistry A, 103(22), 4398, 1999 |
| 6 |
Hardness and chemical potential profiles for some open-shell HAB ->-HBA type reactions. Ab-initio and density functional study
Kar T, Scheiner S, Sannigrahi AB
Journal of Physical Chemistry A, 102(29), 5967, 1998 |
| 7 |
Density functional approach to regiochemistry, activation energy, and hardness profile in 1,3-dipolar cycloadditions
Chandra AK, Nguyen MT
Journal of Physical Chemistry A, 102(30), 6181, 1998 |
| 8 |
The internal rotation of hydrogen thioperoxide : Energy, chemical potential, and hardness profiles
Cardenas-Jiron GI, Letelier JR, Toro-Labbe A
Journal of Physical Chemistry A, 102(40), 7864, 1998 |
| 9 |
2nd-Order Density-Functional Description of Molecules and Chemical-Changes
Liu SB, Parr RG
Journal of Chemical Physics, 106(13), 5578, 1997 |
| 10 |
Relations Between Potential-Energy, Electronic Chemical-Potential, and Hardness Profiles
Cardenasjiron GI, Gutierrezoliva S, Melin J, Torolabbe A
Journal of Physical Chemistry A, 101(25), 4621, 1997 |
