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квантово-хімічні розрахунки
UDC 54.057
2
quantum chemical calculations
2
УДК 54.057
2
квантово-химические расчеты
2
1,3-oxazoles
1
1,3-оксазоли
1
13C NMR-spectroscopy
1
13C ЯМР спектроскопія
1
2
1
3-а]azepines
1
3-а]азепины
1
3-а]азепіни
1
4]triazolo[4
1
4]триазоло[4
1
547.29’05
1
547.789
1
547.79
1
547.831
1
5H-[1
1
5Н-[1
1
B3LYP/6-31 G(d) and M06-2X/6-31 G(d) GAUSSIAN W09 program methods
1
[Pharm-BioM] complex
1
activation energy
1
biological affinity
1
continuum
1
cyclization
1
hydrogen bonds
1
p-stacking interaction
1
quantum-chemical calculations
1
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3by Perekhoda, L. O., Yeromina, H. O., Storozhenko, I. P., Sheykina, N. V., Krasovskyi, I. V., Krasovska, M. V., Demchenko, S. A.Get full text
Published 2017
Article