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Molecular potential energy surfaces by interpolation in Cartesian coordinates

โœ Scribed by Thompson, Keiran C.; Jordan, Meredith J. T.; Collins, Michael A.


Book ID
120202920
Publisher
American Institute of Physics
Year
1998
Tongue
English
Weight
571 KB
Volume
108
Category
Article
ISSN
0021-9606

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Principal coordinate maps of molecular p
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Obtaining useful representations of molecular conformation spaces and visualizing the associated potential energy surfaces is a complex task, mainly due to the high dimensionality of these spaces. Principal component ลฝ . analysis PCA , which projects multidimensional data on low-dimensional subspace