Title | Journal | Journal Categories | Citations | Publication Date |
---|---|---|---|---|
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions | The Journal of Chemical Physics |
| 596 | 2006 |
10.1039/B517914A | Physical Chemistry Chemical Physics |
| 2006 | |
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions | Journal of Chemical Theory and Computation |
| 3,199 | 2006 |
Uncertainties in Scaling Factors for ab Initio Vibrational Frequencies | The Journal of Physical Chemistry A |
| 410 | 2005 |
Estimation, Computation, and Experimental Correction of Molecular Zero-Point Vibrational Energies | The Journal of Physical Chemistry A |
| 44 | 2005 |
Title | Journal | Journal Categories | Citations | Publication Date |
---|---|---|---|---|
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches | Journal of Computational Chemistry |
| 2024 | |
Spectroscopic, computational, cytotoxicity, and docking studies of 6‐bromobenzimidazole as anti‐breast cancer agent | Journal of Molecular Recognition |
| 2024 | |
Structural Investigation, Spectroscopic Properties, DFT Calculations and Electrical Properties of [C6H9N2]2 Sb2Cl8 Hybrid Compound | Journal of Cluster Science |
| 2024 | |
Silicon, Carbon, Germanium, Aluminum Nitride nanocages (Si60, C60, Ge60, Al30N30) as catalysts of N2 reduction to NH3 | Silicon |
| 2024 | |
Double-proton transfer triggering mechanism of nitromethane caused by intermolecular hydrogen bonding at low temperature | Arabian Journal of Chemistry |
| 2024 |