| 000 | 01168 a2200313 4500 | ||
|---|---|---|---|
| 005 | 20250515185045.0 | ||
| 264 | 0 | _c20100301 | |
| 008 | 201003s 0 0 eng d | ||
| 022 | _a1520-5215 | ||
| 024 | 7 |
_a10.1021/jp9050484 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
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| 100 | 1 | _aGester, Rodrigo M | |
| 245 | 0 | 0 |
_aNMR chemical shielding and spin-spin coupling constants of liquid NH3: a systematic investigation using the sequential QM/MM method. _h[electronic resource] |
| 260 |
_bThe journal of physical chemistry. A _cDec 2009 |
||
| 300 |
_a14936-42 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't | ||
| 650 | 0 | 4 |
_aAmmonia _xchemistry |
| 650 | 0 | 4 | _aMagnetic Resonance Spectroscopy |
| 650 | 0 | 4 | _aMonte Carlo Method |
| 650 | 0 | 4 | _aQuantum Theory |
| 650 | 0 | 4 | _aSolutions |
| 650 | 0 | 4 | _aStatic Electricity |
| 700 | 1 | _aGeorg, Herbert C | |
| 700 | 1 | _aCanuto, Sylvio | |
| 700 | 1 | _aCaputo, M Cristina | |
| 700 | 1 | _aProvasi, Patricio F | |
| 773 | 0 |
_tThe journal of physical chemistry. A _gvol. 113 _gno. 52 _gp. 14936-42 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1021/jp9050484 _zAvailable from publisher's website |
| 999 |
_c19145263 _d19145263 |
||