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Within the ATMOLCOL project, experimental investigations of electron–molecule collisions increasingly require theoretical input capable of clarifying the molecular mechanisms that lead to fragmentation. The work presented here contributes to this effort through the development of a computational model aimed at simulating fragmentation of mole...

By Sanja Tošić, Vladimir Srećković, Veljko Vujčić

Fragmentation of molecular cations formed by electron-impact ionization is governed primarily by the redistribution of internal energy deposited during the collision event. A detailed understanding of how this energy drives the transition from bound vibrational motion to irreversible bond cleavage is essential for interpreting energy-resolved fragm...

By Sanja Tošić, Vladimir Srećković, Veljko Vujčić

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