Calculated coupling constants (1)J(X-Y) and K-1(X-Y), and fundamental relationships among the reduced coupling constants for molecules HmX-YHn, with X, Y & x2550; H-1, Li-7, Be-9, B-11, C-13, N-15, O-17, F-19, P-31, S-33, and Cl-35

Elguero, J; Alkorta, I; Del Bene, JE

Alkorta, I (corresponding author), CSIC, Inst Quim Med, Juan de la Cierva 3, E-28006 Madrid, Spain.; Del Bene, JE (corresponding author), Youngstown State Univ, Dept Chem, Youngstown, OH 44555 USA.

MAGNETIC RESONANCE IN CHEMISTRY, 2020; 58 (8): 727

Abstract

Equation-of-motion coupled-cluster singles and doubles (EOM-CCSD) calculations have been performed to determine coupling constants (1)J(X-Y) for 65 mo......

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