| 000 | 00828 a2200229 4500 | ||
|---|---|---|---|
| 005 | 20250517140205.0 | ||
| 264 | 0 | _c20180320 | |
| 008 | 201803s 0 0 eng d | ||
| 022 | _a0948-5023 | ||
| 024 | 7 |
_a10.1007/s00894-017-3229-8 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
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| 100 | 1 | _aSu, Neil Qiang | |
| 245 | 0 | 0 |
_aWhen does a functional correctly describe both the structure and the energy of the transition state? _h[electronic resource] |
| 260 |
_bJournal of molecular modeling _cFeb 2017 |
||
| 300 |
_a65 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article | ||
| 700 | 1 | _aPernot, Pascal | |
| 700 | 1 | _aXu, Xin | |
| 700 | 1 | _aSavin, Andreas | |
| 773 | 0 |
_tJournal of molecular modeling _gvol. 23 _gno. 2 _gp. 65 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1007/s00894-017-3229-8 _zAvailable from publisher's website |
| 999 |
_c26868208 _d26868208 |
||