Correlations between our experimentally determined1HNCSA ideals and the local structure in GB3, together with DFT calculations onN-methyl acetamide (NMA) H-bonded to acetamide, are then used to gain a more quantitative understanding of the connection between hydrogen-bond geometry and1HNCSA
Correlations between our experimentally determined1HNCSA ideals and the local structure in GB3, together with DFT calculations onN-methyl acetamide (NMA) H-bonded to acetamide, are then used… Read More »Correlations between our experimentally determined1HNCSA ideals and the local structure in GB3, together with DFT calculations onN-methyl acetamide (NMA) H-bonded to acetamide, are then used to gain a more quantitative understanding of the connection between hydrogen-bond geometry and1HNCSA