校正:在描述非极性合成宿主中的离子结合姿势时,非极化力场的限制
David Seiferth1,2, Stephen J Tucker1,3, Philip C Biggin2
1Clarendon Laboratory, Department of Physics, University of Oxford, Oxford, OX1 3PU, UK.
Physical chemistry chemical physics : PCCP
|July 17, 2023
概括
这种修正解决了非极化力场在准确预测合成宿主内的离子结合方面的局限性. 它强调了准确的计算方法对于理解宿主-客化学的重要性.
科学领域:
- 计算化学的计算化学
- 超分子化学 超分子化学
- 物理化学 物理化学
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