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NATO Advanced Research Workshop on Geometrical Derivatives of Energy Surfaces and Molecular Properties
The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in loca...
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| Lenguaje: | eng |
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Springer
1986
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| Acceso en línea: | https://dx.doi.org/10.1007/978-94-009-4584-5 http://cds.cern.ch/record/2032859 |