Weights B3LYP HF / Ó 2005 Elsevier B.V. / All (350) HF / China Virtual Laboratory / Experimental Hf / E.D. Glendening A.E. / Gaussian Inc. / Shanghai Key Laboratory / Wx1j LP / /
Country
China / /
Currency
pence / / /
Facility
The University of Hong Kong / Key Laboratory of Molecular Catalysis / Fudan University / China Virtual Laboratory of Computational Chemistry / / /
IndustryTerm
nonhydrogen systems / chemical reactions / neural network / thermo-chemical properties / energy change / chemical environment / zero-point vibrational energy / electronic correlation energy / neural networks / chemical interest / unbalanced electron correlation energy / overall energy change / chemical physics / calculated thermo-chemical properties / molecular systems / atomization energy scheme / chemical bonds / /
MarketIndex
set 300 / set 400 / /
Organization
University of Hong Kong / Hong Kong / Chinese Academy of Sciences / Fudan University / Computer Network Information Center / Center for Chemical Physics / National Natural Science Foundation / Department of Chemistry / /
Person
Wen-Ning Wang Guan-Hua Chen / F. Weinhold / J.A. Montgomery Jr. / Kang-Nian Fan / K. Raghavachari / Xue-Mei Duan / Guo-Liang Song / P.C. Redfern / V / Grant Nos / J. Chem / Hua Li / /
Chemical Physics Letters–130 www.elsevier.com/locate/cplett Neural network correction for heats of formation with a larger experimental training set and new descriptors Xue-Mei Duan a, Zhen-Hua Li a,b, G