" /> internal valence force field - CISMeF





Preferred Label : internal valence force field;

IUPAC definition : A force field expressed in terms of bond-stretching, angle-bending, torsional and other displacements directly connected to the structural parameters of the molecule: \[V \frac{1}{2}\ \sum k_{ij}\ R_{i}\ R_{j}\] or \[V \frac{1}{2}\ \sum K_{ij}\ R_{i}\ R_{j}\] where k (or K) are the force constants and R the internal valence coordinates.;

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A force field expressed in terms of bond-stretching, angle-bending, torsional and other displacements directly connected to the structural parameters of the molecule: \[V \frac{1}{2}\ \sum k_{ij}\ R_{i}\ R_{j}\] or \[V \frac{1}{2}\ \sum K_{ij}\ R_{i}\ R_{j}\] where k (or K) are the force constants and R the internal valence coordinates.

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04/05/2025


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