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A Systematic Comparison of Second-Order Polarization Propagator Approximation and Equation-of-Motion Coupled Cluster Singles and Doubles C−C, C−N, N−N, C−H, and N−H Spin−Spin Coupling Constants †
Del Bene, Janet E., Alkorta, Ibon, Elguero, JoséVolume:
113
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp902089g
Date:
November, 2009
File:
PDF, 4.60 MB
english, 2009