Gaussian-3 theory using reduced Mo/ller-Plesset order
作者： Larry A. Curtiss , Paul C. Redfern , Krishnan Raghavachari , Vitaly Rassolov , John A. Pople
DOI: 10.1063/1.478385
关键词:
摘要: … ASSESSMENT OF G3„MP2… THEORY ON THE G2/ 97 TEST SET The G2/97 test set4,5 contains … In this assessment we have used the G2/97 test set less three ionization potentials (…
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