| 000 | 01009 a2200241 4500 | ||
|---|---|---|---|
| 005 | 20250515125227.0 | ||
| 264 | 0 | _c20080828 | |
| 008 | 200808s 0 0 eng d | ||
| 022 | _a1089-7690 | ||
| 024 | 7 |
_a10.1063/1.2940738 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aJanesko, Benjamin G | |
| 245 | 0 | 0 |
_aHartree-Fock orbitals significantly improve the reaction barrier heights predicted by semilocal density functionals. _h[electronic resource] |
| 260 |
_bThe Journal of chemical physics _cJun 2008 |
||
| 300 |
_a244112 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S. | ||
| 650 | 0 | 4 | _aModels, Chemical |
| 650 | 0 | 4 | _aModels, Molecular |
| 650 | 0 | 4 | _aQuantum Theory |
| 700 | 1 | _aScuseria, Gustavo E | |
| 773 | 0 |
_tThe Journal of chemical physics _gvol. 128 _gno. 24 _gp. 244112 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1063/1.2940738 _zAvailable from publisher's website |
| 999 |
_c18083716 _d18083716 |
||