【摘 要】
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In this work,interaction and reactivity of weakly-bound excess electron with radiosensitive agent in solution is explored using a combined ab initio molecular dynamics simulation and time-dependent wa
【机 构】
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Institute of Theoretical Chemistry,School of Chemistry and Chemical Engineering,Shandong University,
【出 处】
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The 15th ICQC International Congress of Quantum Chemistry(第1
论文部分内容阅读
In this work,interaction and reactivity of weakly-bound excess electron with radiosensitive agent in solution is explored using a combined ab initio molecular dynamics simulation and time-dependent wave-packet dynamics method.
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