Abstract
Abstract Hydrogen-bond-enhanced interactions were generated for ammonia pairs by ab initio calculations using tempered basis sets. The potential function obtained by the generation of interaction energies was applied to a Monte Carlo simulation for the liquid state of ammonia. The simulated bulk properties were considered compared with a previous ab initio STO-3G based simulation. The thermodynamic properties were obtained in the simulation and compared with those of a liquid water system to which the same manner of enhancement for the hydrogen bond was applied. The qualitative difference between the two liquids was reproduced.
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