| 000 | 01224 a2200325 4500 | ||
|---|---|---|---|
| 005 | 20250518015403.0 | ||
| 264 | 0 | _c20200616 | |
| 008 | 202006s 0 0 eng d | ||
| 022 | _a1096-987X | ||
| 024 | 7 |
_a10.1002/jcc.25763 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aMielczarek, Detlev Conrad | |
| 245 | 0 | 0 |
_aGeneralized Prediction of Enthalpies of Formation Using DLPNO-CCSD(T) Ab Initio Calculations for Molecules Containing the Elements H, C, N, O, F, S, Cl, Br. _h[electronic resource] |
| 260 |
_bJournal of computational chemistry _c03 2019 |
||
| 300 |
_a768-793 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't | ||
| 650 | 0 | 4 |
_aCarbon _xchemistry |
| 650 | 0 | 4 |
_aHalogens _xchemistry |
| 650 | 0 | 4 |
_aHydrogen _xchemistry |
| 650 | 0 | 4 | _aModels, Chemical |
| 650 | 0 | 4 |
_aNitrogen _xchemistry |
| 650 | 0 | 4 |
_aOxygen _xchemistry |
| 650 | 0 | 4 |
_aSulfur _xchemistry |
| 650 | 0 | 4 | _aThermodynamics |
| 700 | 1 | _aNait Saidi, Chourouk | |
| 700 | 1 | _aParicaud, Patrice | |
| 700 | 1 | _aCatoire, Laurent | |
| 773 | 0 |
_tJournal of computational chemistry _gvol. 40 _gno. 6 _gp. 768-793 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1002/jcc.25763 _zAvailable from publisher's website |
| 999 |
_c29234914 _d29234914 |
||