Thermochemistry of drugs: experimental and theoretical study of analgesics on “structure-property” relationships. Quantum-chemical
methods were applied for calculation of
theoretical gas
Experimental and theoretical thermodynamic properties of RS-(±)- and S-(+)-mandelic acids the transpiration
method. The enthalpies of sublimation of these compounds at 298.15 K were derived from vapor
Theoretical conformational analysis of organophosphorus compounds phosphorus compounds by quantum-chemical
methods are generalised and systematised.
Theoretical results
Benchmark thermochemistry of methylbenzonitriles: Experimental and theoretical study determined using the transpiration
method. The composite ab initio
methods W1-F12 and G4 were used