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Choosing points in potential energy surfaces for fitting polynomial functions: application of permutational symmetry

✍ Scribed by A.J.C. Varandas; J.N. Murrell

No coin nor oath required. For personal study only.

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Gradient incorporation in one-dimensiona

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The potential energy surface for the F+H

✍ Schwenke, David W.; Steckler, Rozeanne; Brown, Franklin B.; Truhlar, Donald G. 📂 Article 📅 1986 🏛 American Institute of Physics 🌐 English ⚖ 656 KB