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. 2018 Aug 31;149(8):084115. doi: 10.1063/1.5030434

TABLE II.

Fixed electrostatic damping parameters.

Element Atom class α (Å−1)
Hydrogen (H) Non-polar 3.2484
Aromatic 3.4437
Polar, water 3.2632
Carbon (C) sp3 3.5898
Aromatic 3.2057
sp2 3.1286
Nitrogen (N) sp3 4.0135
Aromatic 3.6358
sp2 3.7071
Oxygen (O) sp3, hydroxyl, water 4.1615
Aromatic 4.3778
sp2, carbonyl 3.7321
Phosphorous (P) Phosphate 2.7476
Sulfur (S) Sulfide 3.3112
Sulfur IV 2.6247
Fluorine (F) Organofluoride 4.4675
Chlorine (Cl) Organochloride 3.4749
Bromine (Br) Organobromide 3.6696