| 000 | 01261 a2200337 4500 | ||
|---|---|---|---|
| 005 | 20250515190038.0 | ||
| 264 | 0 | _c20100115 | |
| 008 | 201001s 0 0 eng d | ||
| 022 | _a1089-7690 | ||
| 024 | 7 |
_a10.1063/1.3231687 _2doi |
|
| 040 |
_aNLM _beng _cNLM |
||
| 100 | 1 | _aLiu, Shubin | |
| 245 | 0 | 0 |
_aPotentialphilicity and potentialphobicity: Reactivity indicators for external potential changes from density functional reactivity theory. _h[electronic resource] |
| 260 |
_bThe Journal of chemical physics _cSep 2009 |
||
| 300 |
_a114106 p. _bdigital |
||
| 500 | _aPublication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S. | ||
| 650 | 0 | 4 | _aBinding Sites |
| 650 | 0 | 4 | _aComputer Simulation |
| 650 | 0 | 4 | _aElectrons |
| 650 | 0 | 4 | _aHydrophobic and Hydrophilic Interactions |
| 650 | 0 | 4 | _aMathematical Computing |
| 650 | 0 | 4 | _aModels, Chemical |
| 650 | 0 | 4 | _aModels, Molecular |
| 650 | 0 | 4 | _aQuantum Theory |
| 650 | 0 | 4 | _aStatic Electricity |
| 650 | 0 | 4 | _aThermodynamics |
| 700 | 1 | _aLi, Tonglei | |
| 700 | 1 | _aAyers, Paul W | |
| 773 | 0 |
_tThe Journal of chemical physics _gvol. 131 _gno. 11 _gp. 114106 |
|
| 856 | 4 | 0 |
_uhttps://doi.org/10.1063/1.3231687 _zAvailable from publisher's website |
| 999 |
_c19174901 _d19174901 |
||