![KVANTOVO-HIMIChESKIE RASChETY METODOM FUNKCIONALA PLOTNOSTI STRUKTURNYH I TERMODINAMIChESKIH PARAMETROV FORMIROVANIYa AMMINOKOMPLEKSOV Cu(II) V POLOSTI KUKURBIT[n]URILOV (n=6,8)](/upload/21232f297a57a5a743894a0e4a801fc3/journals/cover/95166a87c76a31158ddbba941da1ca51.jpeg)
Thermodynamic and structural parameters of inclusion compounds based on copper(II) amino complexes and cucurbit[n]urils (n=6,8) within the density functional theory have been calculated.
теория функционала плотности, континуальная модель РСМ, кавитанд, кукурбит[n]урил, амминокомплекс Сu(II), соединение включения, density functional theory, PCM, cavitand, cucurbit[n]uril, Cu(II) amino complex, inclusion compound
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