| 000 | 01391 a2200385 4500 | ||
|---|---|---|---|
| 005 | 20250516144826.0 | ||
| 264 | 0 | _c20140522 | |
| 008 | 201405s 0 0 eng d | ||
| 022 | _a1520-5207 | ||
| 024 | 7 |
_a10.1021/jp4020146 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aPlotnikov, Nikolay V | |
| 245 | 0 | 0 |
_aQuantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces. _h[electronic resource] |
| 260 |
_bThe journal of physical chemistry. B _cOct 2013 |
||
| 300 |
_a12807-19 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S. | ||
| 650 | 0 | 4 | _aEsters |
| 650 | 0 | 4 | _aHydrolysis |
| 650 | 0 | 4 |
_aIons _xchemistry |
| 650 | 0 | 4 | _aKinetics |
| 650 | 0 | 4 |
_aMagnesium _xchemistry |
| 650 | 0 | 4 | _aModels, Molecular |
| 650 | 0 | 4 |
_aPhosphates _xchemistry |
| 650 | 0 | 4 | _aQuantum Theory |
| 650 | 0 | 4 |
_aSolutions _xchemistry |
| 650 | 0 | 4 | _aSurface Properties |
| 650 | 0 | 4 | _aThermodynamics |
| 650 | 0 | 4 |
_aWater _xchemistry |
| 700 | 1 | _aPrasad, B Ram | |
| 700 | 1 | _aChakrabarty, Suman | |
| 700 | 1 | _aChu, Zhen T | |
| 700 | 1 | _aWarshel, Arieh | |
| 773 | 0 |
_tThe journal of physical chemistry. B _gvol. 117 _gno. 42 _gp. 12807-19 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1021/jp4020146 _zAvailable from publisher's website |
| 999 |
_c22683736 _d22683736 |
||