
QTST量子过渡态理论计算软件,支持量子隧穿效应透射系数计算…
qtst是基于c++开发的量子过渡态理论动力学计算软件,使用c++11标准,支持量子隧穿效应透射系数计算,单分子反应动力学计算,双分子反应动力学计算。
QPST Tool - Qualcomm Product Support Tools (QPST)
Download the QPST Tool for Windows. This tool assists in flashing or installing stock firmware on devices running on Qualcomm Chipsets. The QPST Tool is a free utility that does not require …
[1408.0996] Quantum Transition-State Theory - arXiv.org
Aug 4, 2014 · The key step in deriving a QTST is alignment of the flux and side dividing surfaces in path-integral space to obtain a quantum flux-side time-correlation function with a non-zero t …
QTST/manual/QTST_1_4_manual.md at master - GitHub
QTST量子过渡态理论计算软件,支持量子隧穿效应透射系数计算,单分子反应动力学计算,双分子反应动力学计算 - Linqiaosong/QTST
Releases · Linqiaosong/QTST - GitHub
May 28, 2020 · QTST量子过渡态理论计算软件,支持量子隧穿效应透射系数计算,单分子反应动力学计算,双分子反应动力学计算 - Linqiaosong/QTST
Which Is Better at Predicting Quantum-Tunneling Rates: Quantum ...
Oct 27, 2014 · Quantum transition-state theory (QTST) and free-energy instanton theory (FEIT) are two closely related methods for estimating the quantum rate coefficient from the free …
求助高斯过渡态结果文件里的的振动配分函数为什么跟Kisthelp算 …
Aug 12, 2020 · 这样在算Qtst= Qtran×Qrot×Qelec×Qvib的时候就会误差,后面我还算了蒽和苯的夺氢反应速率,跟表格里基于自由能算的反应速率差了1个数量级,请问是我Qvib取错了吗? 是 …
一个计算TST速率常数的小工具 - 量子化学 (Quantum Chemistry)
Aug 16, 2019 · 基于sob老师基于过渡态理论计算反应速率常数的Excel表格的启发,我也简单写了一个计算TST速率常数的小工具。 支持了一些其它的单位,公式借用了sob老师Excel表格的 …
Queer and Trans Studies (QTST) - California State University, Chico
Queer film theory will be used to focus on how representation in film has changed and how that has shaped both the LGBTQ+ community and individual identities. Films include classics, …
QYinfotech
qTST 通用测试平台可快速增加设备控制与控制算法,适用于多电机实时同步控制与测量应用的测试台架;qSIM继承于qTST通用测试平台,针对模型部署做了专项设计与调整。
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