Raffinose–sucrose crystal interaction modelling
作者： C Campaña Cuè , AR Ruiz Salvador , S Aguilera Morales , FL Falcon Rodriguez , P Pérez Gonzàlez
DOI: 10.1016/S0022-0248(01)01489-0
关键词: Chemistry 、 Chemical physics 、 Raffinose 、 Crystal 、 Molecular level 、 Molecule 、 Hydrogen bond 、 Stereochemistry 、 Quantum chemical 、 Adsorption 、 Sucrose
摘要: Abstract A methodology is outlined that open a feasible way to the study of different impurity-crystal surface interactions. This made with aid so-called “growth cell” and using semiempirical quantum chemical calculations. Here, we attempt reproduce observed experimental behaviour in order clarify at molecular level role raffinose growth sucrose crystals. Our results proved directing number hydrogen bonds stabilization raffinose–sucrose crystal interaction.
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