| 000 | 01119 a2200313 4500 | ||
|---|---|---|---|
| 005 | 20250517063839.0 | ||
| 264 | 0 | _c20161012 | |
| 008 | 201610s 0 0 eng d | ||
| 022 | _a1549-9626 | ||
| 024 | 7 |
_a10.1021/acs.jctc.5b00673 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aChou, Chien-Pin | |
| 245 | 0 | 0 |
_aAutomatized Parameterization of DFTB Using Particle Swarm Optimization. _h[electronic resource] |
| 260 |
_bJournal of chemical theory and computation _cJan 2016 |
||
| 300 |
_a53-64 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't | ||
| 650 | 0 | 4 | _aAlgorithms |
| 650 | 0 | 4 |
_aHydrogen Peroxide _xchemistry |
| 650 | 0 | 4 |
_aMethanol _xchemistry |
| 650 | 0 | 4 | _aModels, Theoretical |
| 650 | 0 | 4 |
_aSilicon _xchemistry |
| 700 | 1 | _aNishimura, Yoshifumi | |
| 700 | 1 | _aFan, Chin-Chai | |
| 700 | 1 | _aMazur, Grzegorz | |
| 700 | 1 | _aIrle, Stephan | |
| 700 | 1 | _aWitek, Henryk A | |
| 773 | 0 |
_tJournal of chemical theory and computation _gvol. 12 _gno. 1 _gp. 53-64 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1021/acs.jctc.5b00673 _zAvailable from publisher's website |
| 999 |
_c25466911 _d25466911 |
||