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MP2 and EOM-CCSD calculations have been carried out to determine the structures, binding energies, and spin-spin coupling constants of carbone complexes L→C←L with the carbone the electron donor to HF or ClF, for L = CO, N 2 , HNC, PH 3 , and SH 2 .

physical chemistry chemical physics/pccp. physical chemistry chemical physics

Hydrogen bonds and halogen bonds in complexes of carbones L→C←L as electron donors to HF and ClF, for L = CO, N2, HNC, PH3, and SH2