| 1 |
Characterization of Intermolecular Interactions in Crystalline Aspirin: A Computational NQR Study
|
International Journal of Quantum Chemistry
|
| 2 |
Characterization of O–H . . . O interactions in linear and cyclic clusters of boric acid: An ab initio, DFT, QTAIM and NBO study
|
Computational and Theoretical Chemistry
|
| 3 |
A theoretical investigation of hydrogen bonding effects on oxygen and hydrogen chemical shielding tensors of aspirin
|
Structural Chemistry
|
| 4 |
A theoretical study on bonding and energy aspects of LnL3Y 3 and [LnL3 H2O]3Y complexes (Ln^La, Eu, Gd, L u; L^b-diketone, b-dithioketone, b-diphosphine oxide)
|
MOLECULAR PHYSICS
|
| 5 |
A DFT Study of Hydrogen Adsorption on Ln@B16N16Fullerene-Like Nanocage (Ln: La, Gd and Lu)
|
Fullerenes, Nanotubes, and Carbon Nanostructures
|