Abstract
It is quite likely that at all times of the day and night, some number of CCSD(T) and Gaussian-n compound model chemistry calculations are running somewhere in the world. Even more probable is that there is always some computer somewhere running correlated electronic structure calculations with the polarized 6-311G basis set. It is also nearly certain that self-consistent field theory second-derivative calculations to calculate spectroscopic and thermodynamic properties are running on computers on our planet 24 h a day, 7 days a week.
| Original language | English |
|---|---|
| Pages (from-to) | 2523-2525 |
| Journal | The Journal of Physical Chemistry A |
| Volume | 138 |
| Issue number | 13 |
| DOIs | |
| Publication status | Published - 31 Dec 2024 |
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