Packet A: Bonus 16
These entities can be found by generating equidistant, spring-connected “images” in a modification to the nudged elastic band or NEB method. For 10 points each:
[10m] Name these entities that correspond to local maxima on a reaction coordinate diagram. “Late” types of these entities resemble products according to Hammond’s postulate.
ANSWER: transition states [accept TS; prompt on activated complexes]
[10e] Transition states can be identified by finding paths that minimize this quantity on their namesake surfaces. The Hamiltonian of a given system is composed of terms for this quantity and its kinetic counterpart.
ANSWER: potential energy [accept potential energy surfaces or PES; prompt on energy]
[10h] Unlike NEB, this method uses molecular geometry constraints to interpolate linear or quadratic paths through a maxima. Peng and Schlegel applied quasi-Newton methods to optimize results first obtained using this method.
ANSWER: synchronous transit methods [accept linear synchronous transit methods or LSTs; accept quadratic synchronous transit methods or QSTs; accept synchronous transit-guided quasi-Newton methods or STQNs; prompt on transit methods]
<Purdue, Chemistry> | Packet A - Brown A, Wisconsin A, Purdue, Maryland B
| Heard | PPB | E % | M % | H % |
|---|---|---|---|---|
| 67 | 16.87 | 96% | 69% | 5% |
Conversion
Summary
| Tournament | Edition | Match | Heard | PPB | E % | M % | H % |
|---|---|---|---|---|---|---|---|
| California (North) | Main Site | ✓ | 3 | 16.67 | 100% | 67% | 0% |
| California (South) | Main Site | ✓ | 3 | 20.00 | 100% | 100% | 0% |
| Canada | Main Site | ✓ | 9 | 15.56 | 89% | 56% | 11% |
| Florida | Main Site | ✓ | 3 | 10.00 | 100% | 0% | 0% |
| Great Lakes | Main Site | ✓ | 5 | 18.00 | 100% | 80% | 0% |
| Lower Mid-Atlantic | Main Site | ✓ | 5 | 14.00 | 80% | 60% | 0% |
| Midwest | Main Site | ✓ | 8 | 17.50 | 100% | 63% | 13% |
| Overflow | Main Site | ✓ | 4 | 15.00 | 100% | 50% | 0% |
| South Central | Main Site | ✓ | 2 | 15.00 | 100% | 50% | 0% |
| Southeast | Main Site | ✓ | 6 | 18.33 | 100% | 83% | 0% |
| UK | Main Site | ✓ | 9 | 18.89 | 100% | 89% | 0% |
| Upper Mid-Atlantic | Main Site | ✓ | 6 | 18.33 | 100% | 83% | 0% |
| Upstate NY | Main Site | ✓ | 4 | 17.50 | 75% | 75% | 25% |