Shanghai / New York / Oxford / Pittsburgh / Beijing / /
Company
Ó 2005 Elsevier B.V. / Plenum Press / elec- I II III IV V HF / Gaussian Inc. / CR LP / Clarendon Press / Shanghai Key Laboratory / China Virtual Laboratory / BD(a1) LP / E.D. Glendening A.E. / BD LP / Unpaired(b1) HF / /
Country
China / Singapore / / /
Facility
The University of Hong Kong / Key Laboratory of Molecular Catalysis / Fudan University / China Virtual Laboratory of Computational Chemistry / / /
IndustryTerm
overall correlation energy changes / electron correlation energy changes / chemical bonding pattern / chemical reaction / non-hydrogen systems / calculated electronic energy / quantum chemical calculations / molecular systems / atomization energy scheme / energy / correlation energy changes / correlation energy / chemical reactions / quantum chemical methods / non-continuous potential energy surface / zero-point vibrational energy / electron correlation energy / potential energy profiles / quantum chemical calculation results / quantum chemical calculation errors / chemical bonds / /
MarketIndex
set 180 / set 350 / /
Organization
University of Hong Kong / Hong Kong / Chinese Academy of Sciences / National Natural Science Foundation / Department of Chemistry / Fudan University / Shanghai / Computer Network Information Center / Center for Chemical Physics / /
Person
Hai-Rong Hu / Wen-Ning Wang / J.A. Montgomery Jr. / Kang-Nian Fan / Xue-Mei Duan / Guo-Liang Song / Hua Chen / J. Chem / Hua Li / F. Weinhold / K. Raghavachari / P.C. Redfern / V / Grant Nos / /
Chemical Physics Letters[removed]–321 www.elsevier.com/locate/cplett Linear regression correction to first principle theoretical calculations – Improved descriptors and enlarged training set Xue-Mei Duan a, Zh