| 000 | 01150 a2200313 4500 | ||
|---|---|---|---|
| 005 | 20250517182821.0 | ||
| 264 | 0 | _c20180313 | |
| 008 | 201803s 0 0 eng d | ||
| 022 | _a1549-9626 | ||
| 024 | 7 |
_a10.1021/acs.jctc.7b00621 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aDohn, A O | |
| 245 | 0 | 0 |
_aGrid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex. _h[electronic resource] |
| 260 |
_bJournal of chemical theory and computation _cDec 2017 |
||
| 300 |
_a6010-6022 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article | ||
| 700 | 1 | _aJónsson, E Ö | |
| 700 | 1 | _aLevi, G | |
| 700 | 1 | _aMortensen, J J | |
| 700 | 1 | _aLopez-Acevedo, O | |
| 700 | 1 | _aThygesen, K S | |
| 700 | 1 | _aJacobsen, K W | |
| 700 | 1 | _aUlstrup, J | |
| 700 | 1 | _aHenriksen, N E | |
| 700 | 1 | _aMøller, K B | |
| 700 | 1 | _aJónsson, H | |
| 773 | 0 |
_tJournal of chemical theory and computation _gvol. 13 _gno. 12 _gp. 6010-6022 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1021/acs.jctc.7b00621 _zAvailable from publisher's website |
| 999 |
_c27735297 _d27735297 |
||