Reaction enthalpies using the neural-network-based X1 approach: The important choice of input descriptors

Journal of Physical Chemistry A

Volumn 113, Issue 13, 2009, Pages 3285-3290

  Wodrich, Matthew D ^a   Corminboeuf, Clémence ^a  

^a EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL NEURAL NETWORKS; BOND ENERGIES; DENSITY FUNCTIONAL COMPUTATIONS; DESCRIPTORS; ENTHALPIES OF FORMATIONS; EXPERIMENTAL DATUM; INPUT LAYERS; LONG-RANGE CORRELATIONS; NEURAL-NETWORK; ORGANIC MOLECULES; REACTION ENTHALPIES;

ENTHALPY; ORGANIC COMPOUNDS;

NEURAL NETWORKS;

EID: 63849248180     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9002005     Document Type: Article

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