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• W2125898950 startingPage "427" @default.
• W2125898950 abstract "Analytical formulas are reported for the nonlinear transformation of cubic and quartic force constants from normal coordinates to cartesian coordinates. At the equilibrium reference geometry the first and higher partial derivatives with respect to space-fixed cartesian coordinates are evaluated for the body-fixed normal coordinates, for the rotation matrix elements relating the space-fixed frame and the body-fixed Eckart frame, and for other matrix elements. The computational implementation of the transformation is outlined. The proposed formalism is valid for nonlinear molecules." @default.
• W2125898950 created "2016-06-24" @default.
• W2125898950 creator A5073581192 @default.
• W2125898950 date "1989-10-10" @default.
• W2125898950 modified "2023-09-26" @default.
• W2125898950 title "Nonlinear transformation of anharmonic normal coordinate force constants" @default.
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• W2125898950 doi "https://doi.org/10.1080/00268978900102261" @default.
• W2125898950 hasPublicationYear "1989" @default.
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