Multiconfigurational non-adiabatic molecular dynamics towards photochemical-N<sub>2</sub>-extrusion reactions in borodiazenes
收藏NIAID Data Ecosystem2026-05-10 收录
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This repository includes the data for the manuscript titled "Multiconfigurational non-adiabatic molecular dynamics towards photochemical N2-extrusion reactions in borodiazenes," in which we utilize advanced quantum-chemical calculations to examine the photodenitrogenation of 1-methylborodiazene to borirane.
创建时间：
2026-02-11
