Thermodynamic and optical properties of HCOOH(H₂O)_n and HCOOH(NH₃)(H₂O)_(n−1) clusters at various temperatures and pressures: a computational study

Abstract

Density functional theory has been used to compute the gas-phase geometries, binding energies, ZPE-corrected binding energies, BSSE-corrected binding energies, binding enthalpies, binding free energies of formic acid-(water)n, and formic acid-(ammonia)-(water)n-1...