| 000 | 00954 a2200253 4500 | ||
|---|---|---|---|
| 005 | 20250518090415.0 | ||
| 008 | ####s 0 0 eng d | ||
| 022 | _a1549-9626 | ||
| 024 | 7 |
_a10.1021/acs.jctc.9b01297 _2doi |
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| 040 |
_aNLM _beng _cNLM |
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| 100 | 1 | _aJeong, WooSeok | |
| 245 | 0 | 0 |
_aAutomation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation. _h[electronic resource] |
| 260 |
_bJournal of chemical theory and computation _cApr 2020 |
||
| 300 |
_a2389-2399 p. _bdigital |
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| 500 | _aPublication Type: Journal Article | ||
| 700 | 1 | _aStoneburner, Samuel J | |
| 700 | 1 | _aKing, Daniel | |
| 700 | 1 | _aLi, Ruye | |
| 700 | 1 | _aWalker, Andrew | |
| 700 | 1 | _aLindh, Roland | |
| 700 | 1 | _aGagliardi, Laura | |
| 773 | 0 |
_tJournal of chemical theory and computation _gvol. 16 _gno. 4 _gp. 2389-2399 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1021/acs.jctc.9b01297 _zAvailable from publisher's website |
| 999 |
_c30693566 _d30693566 |
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