Quantum and chemical calculation of molecule 4-difluoromethoxy-2-ethylsulfanil-1, 3-dihydropyrimidine AB INITIO method
Автор: Babkin Vladimir Alexandrovich, Andreev Dmitry Sergeevich, Fomichev Valery Tarasovich, Titovа Evgeniya Stanislavovna
Журнал: НБИ технологии @nbi-technologies
Рубрика: Технико-технологические инновации
Статья в выпуске: 7, 2012 года.
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For the first time quantum chemical calculation of a molecule of 4-difluoromethoxy-2-ethylsulfanil-1,3-dihydropyrimidine is executed by method AB INITIO with optimization of geometry on all parameters. The optimized geometrical and electronic structure of this compound is received. Acid force of 4-difluoromethoxy-2-ethylsulfanil-1,3-dihydropyrimidine is theoretically appreciated.
Quantum chemical calculation, gas phase, метод ab initio, method ab initio, 3-dihydropyrimidine, acid strength, universal index of acidity, 4-difluoromethoxy- 2-ethylsulfanil-1
Короткий адрес: https://sciup.org/14968244
IDR: 14968244
