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准经典轨线方法
释义
准经典轨线方法
Encyclopedia
理学
计算与理论化学
释
quasiclassical trajectory(QCT) method
准经典轨线方法
在渐进区赋予反应物初始的振动、转动量子态,给出反应物分子的初始构型和动量(如从魏格纳分布函数中采样)。在给出的势能面上,使用经典运动方程的数值积分方法模拟反应,通过histogramatic binning或Gaussian-weighted binning的方法来得到产物振动、转动态的分布,从而得到反应轨迹的方法。
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Convention for the Protection of Cultural Property in the Event of Armed Conflict
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Convention Governing the Specific Aspects of Refugee Problems in Africa
convention of Cartesian signs
Convention of London of 1840
Convention of the European and Mediterranean Plant Protection Committee
convention of UNIDROIT
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Convention on Assistance in the Case of a Nuclear Accident or Radiological Emergency
Convention on Biological Diversity
Convention on Biological Diversity,CBD
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Convention on Early Notification of a Nuclear Accident
Convention on Establishing the Multilateral Investment Guarantee Agency
Convention on Fishing and Conservation of the Living Resources of the High Seas
Convention on International Access to Justice
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Convention on Journalistic Ethics
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