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NIAID Data Ecosystem2026-05-02 收录

化学动力学模拟

反应机理数值模拟

数据链接：

https://zenodo.org/record/14204649 数据链接链接失效反馈

官方服务：

资源简介：

452 chemical species+temperature evolution in 1Kyr, extremely stiff and complex.

创建时间：

2024-11-22

Thermal Decomposition of Phosgene and Diphosgene

化学动力学模拟

热分解反应机理

Phosgene (COCl2) is a toxic compound used or formed in a wide range of applications. The understanding of its thermal decomposition for destruction processes or in the event of accidental fire of stor

NIAID Data Ecosystem90

Data_Sheet_2_Photo-Induced Coupled Nuclear and Electron Dynamics in the Nucleobase Uracil.ZIP

化学动力学模拟

分子非绝热过程

Photo-initiated processes in molecules often involve complex situations where the induced dynamics is characterized by the interplay of nuclear and electronic degrees of freedom. The interaction of th

NIAID Data Ecosystem30

SciExpeM - 10.5281/zenodo.5055262

化学反应动力学

化学动力学模拟

Rasmussen, Christian Lund; Jakobsen, Jon Geest; Glarborg, Peter - International Journal Of Chemical Kinetics, 2008, (40), 778-807

Zenodo2021-07-01 更新00

Values of bond dissociation kinetic parameters.

化学动力学模拟

分子分离

The bond dissociation kinetic parameters used in the MAD model are given here. Values of bond dissociation kinetic parameters.

NIAID Data Ecosystem50

Reactions included in the chemical kinetic model.