An Efficient Implementation of the Generalized Energy-Based Fragmentation Approach for General Large Molecules

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Shugui Hua

School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of MOE, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093, People’s Republic of China, and Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden
Weijie Hua

School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of MOE, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093, People’s Republic of China, and Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden
Shuhua Li

School of Chemistry and Chemical Engineering, Key Laboratory of Mesoscopic Chemistry of MOE, Institute of Theoretical and Computational Chemistry, Nanjing University, Nanjing 210093, People’s Republic of China, and Department of Theoretical Chemistry, School of Biotechnology, Royal Institute of Technology, S-106 91 Stockholm, Sweden

Journal

The Journal of Physical Chemistry A

The Journal of Physical Chemistry A 114 (31), 8126-8134, 2010-07-19

American Chemical Society (ACS)

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