Quantum calculations and Car-Parrinello simulations of processes in the zeolite chabazite
Giurumescu, CA; Trout, BL
| HERO ID | 5779057 |
|---|---|
| In Press | No |
| Year | 2001 |
| Title | Quantum calculations and Car-Parrinello simulations of processes in the zeolite chabazite |
| Authors | Giurumescu, CA; Trout, BL |
| Journal | AIChE Symposium Series |
| Volume | 97 |
| Issue | 325 |
| Page Numbers | 313-316 |
| Wosid | WOS:000180146200059 |
| Is Certified Translation | No |
| Dupe Override | No |
| Is Public | Yes |
| Keyword | FOMMS 2000; Car-Parrinello; density functional theory; quantum simulations; quantum calculations; zeolite; chabazite; methanol coupling |