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Graph-Theory-Based Molecular Fragmentation for Efficient and Accurate Potential Surface Calculations in Multiple Dimensions
Journal of Chemical Theory and Computation
◽
10.1021/acs.jctc.1c00065
◽
2021
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Author(s):
Anup Kumar
◽
Nicole DeGregorio
◽
Srinivasan S. Iyengar
Keyword(s):
Graph Theory
◽
Potential Surface
◽
Molecular Fragmentation
◽
Multiple Dimensions
Download Full-text
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◽
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◽
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◽
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◽
1983
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◽
International Colloquium
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