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Bond-dissociation energy / Theoretical chemistry / Computational chemistry / Hybrid functional


Article pubs.acs.org/JPCA Alternative Approach to Chemical Accuracy: A Neural NetworksBased First-Principles Method for Heat of Formation of Molecules Made of H, C, N, O, F, S, and Cl Jian Sun,*,† Jiang Wu,† Tao Song
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Document Date: 2015-04-21 18:39:08


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File Size: 2,06 MB

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China / /

Currency

pence / /

Facility

bar of NN C6ClF5 CF4 C2H4Cl2 / Error Bar / The University of Hong Kong / Northeast Normal University / /

IndustryTerm

chemical accuracy / feed-forward neural network / improved version back-propagation algorithm / neural network / ve chemical species / potential energy / electronics / point energy / thermal energy / software package35 / chemical species / chemical structures / neural-network / indispensable research tools / energy / /

Organization

University of Hong Kong / Hong Kong / Northeast Normal University / Changchun / MAD RMS / China School of Computer Science and Information Technology / Department of Chemistry / /

Person

Tao Song / Jiang Wu / † Tao / /

Position

feed-forward / representative / /

Product

B300 / /

ProgrammingLanguage

C / /

ProvinceOrState

Kansas / Jilin / /

Technology

neural network / Information Technology / Computational Chemistry / improved version back-propagation algorithm / machine learning / /

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