Synthesis of Gold Nanoparticles with Buffer-Dependent Variations of Size and Morphology in Biological Buffers

Table 2 Interaction energies between Au NPs and surfactants (units: kcal · mol⁻¹)

Models	E _total	E _Au	E _sufactant	E _interaction
Au-PIPES	−2007.217	−1738.508	−184.083	−84.626
Au-MES	−1898.38	−1739.591	−103.473	−55.316
Au-PIPES SS	−1786.62	−1739.174	19.564	−67.01
Au-TAPSO	−1824.456	−1739.76	−24.486	−60.21
Au-TAPS	−1937.396	−1738.749	−119.521	−79.126
Au-TES	−1854.747	−1738.22	−58.735	−57.792
Au-TEA	−1777.972	−1740.113	5.0987	−42.958
Au-Bicine	−1728.022	−1740.200	−61.392	−49.214
Au-BTM	−1776.327	−1739.937	9.235	−45.625
Au-BTP	−1719.565	−1738.734	86.598	−67.429
Au-PSTT	−1750.056	−1741.751	30.412	−38.717