Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate

Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate

Synthesis of multicomponent solid forms is an important method of modifying and fine-tuning the most critical physicochemical properties of drug compounds. The design of new multicomponent pharmaceutical materials requires reliable information about the supramolecular arrangement of molecules and de...

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Bibliographic Details
Main Authors: Alexander P. Voronin, Artem O. Surov, Andrei V. Churakov, Olga D. Parashchuk, Alexey A. Rykounov, Mikhail V. Vener
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:Molecules
Subjects:
conventional and non-conventional H-bonds
empirical Grimme corrections
lattice energy of organic salts
computation of low-frequency Raman spectra
Online Access:https://www.mdpi.com/1420-3049/25/10/2386

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https://www.mdpi.com/1420-3049/25/10/2386

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