Table 1 The Morse and the Lennard–Jones (LJ) potential parameters used in this study42,43.

From: New damage model for simulating radiation-induced direct damage to biomolecular systems and experimental validation using pBR322 plasmid

Bond

\({{\varvec{r}}}_{{\varvec{e}}}\)(Å)

\({{\varvec{D}}}_{{\varvec{e}}}\)(eV)

\(\boldsymbol{\alpha }\)(Å-1)

\({{\varvec{k}}}_{{\varvec{e}}}\)(dyn/cm)

C–C

1.54

3.61

2.08

5 × 105 for single bond

10 × 105 for double bond

15 × 105 for triple bond

C–O

1.43

3.73

2.05

O–O

1.48

1.50

3.23

P–O

1.64

3.47

2.12

P=O

1.50

5.64

2.35

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