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Relationships Among Potential-Energy Functions |
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| Authors: | Francisco M Fernández Eduardo A Castro |
| Institution: | (1) INIFTA (Conicet, UNL P), Diag. 113 y 64 (S/N), Sucursal 4, Casilla de Correo 16, 1900 La Plata, Argentina |
| Abstract: | We analyse recently proposed connection formulas between potential-energy functions for bond stretching, bond bending and molecular interactions, and propose more convenient and practical expressions. For example, our mathematical relationships between Morse and Murrel—Mottram potential parameters yield much closer agreement between such potential-energy functions. |
| Keywords: | bond stretching bond bending molecular interactions potential-energy functions molecular mechanics mathematical relationships |
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