With using B3LYP/6-31G(d,p) method are calculated the enthalpy of formation and the absolute entropy of benzene, toluene and isomeric nitrotoluenes. The observed behaviors are analyzed.
квантово-химический расчет, нитротолуол, энтальпия образования, энтропия, quantum-chemical calculation, nitrotoluene, enthalpy of formation, entropy
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