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
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