LIBROS DEL AUTOR: s r niketic

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  • The Consistent Force Field
    K. Rasmussen / S.R. Niketic
    In this chapter ve shall discuss the calculation of potential energy associated vith molecular conforaations. Raving obtained cartesian atoaic coordinates defining conforaations. and lists of intraao- cular interactions, as described in Chapter 3, ve are ready to calculate a quantity which in the chemical literature is known as the total aolecular pot...
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