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Димерiзацiя молекул води. Моделювання мiжмолекулярної взаємодiї на основi мультипольного потенцiалу

Димерiзацiя молекул води. Моделювання мiжмолекулярної взаємодiї на основi мультипольного потенцiалу

The work presents the detailed analysis of the water dimer properties. Their parameters are investigated on the basis of a multipole interaction potential extended up to the quadrupole–quadrupole and dipole–octupole terms. All main equilibrium parameters of the dimer are obtained: its geometry, grou...

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Bibliographic Details
Main Authors: Makhlaichuk, P. V., Malomuzh, M. P., Zhyganiuk, I. V.
Format: Article
Language:English
Published: Publishing house "Academperiodika" 2018
Subjects:
water dimer
multipole interaction potential
dipole moment
quadrupole moment
hydrogen bond
Online Access:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018293
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https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2018293

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