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Interactive graphical optimization of potential energy function parameters in the consistent force field

✍ Scribed by Søren Balling Engelsen; Jesper Fabricius; Kjeld Rasmussen

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
623 KB
Volume
18
Category
Article
ISSN
0097-8485

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✍ Rick L. Ornstein; Robert Rein; Donnal L. Breen; Robert D. Macelroy 📂 Article 📅 1978 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 896 KB

## Abstract An optimized potential function for base‐stacking interaction is constructed. Stacking energies between the complementary pairs of a dimer are calculated as a function of the rotational angle and separation distance. Using several different sets of atomic charges, the electrostatic comp