Рубрики
Теория строения молекул и химической связи
стр.929
Synthesis, characterization, crystal structure, and DFT study
of 4-bromo-2-(4,6-dichloro-phenylimino)-phenol
стр.937
Phototautomerism of isocytosine in a water medium:
Theoretical and experimental study

стр.748
A comparison of NH52+ and CH5+ ions and deuterated variants
of NHx D(5x)2+: Real or artefactual rotation?

стр.761
Investigation of lithium-ion diffusion in LiCoPO4 cathode material
by molecular dynamics simulation

стр.770
Computational investigation of the pseudo Jahn—Teller effect
on the structure and chemical properties of perhaloethene anions

стр.779
Stability, electronic, and structural features of the conformers
of 2-methyl-1,3,2-diheterophosphinane 2-oxide
(heteroatom = O, S, Se): DFT and NBO investigations

стр.788
Competition between the intramolecular hydrogen bond
and the π-electron delocalization in some RAHB systems:
A theoretical study

стр.535
Электронная структура и диэлектрические свойства
азидов Ca(N3)2 и Sr(N3)2

стр.544
Моделирование кристаллической структуры и изучение электронного строения соединений GelSimCn

стр.550
Theoretical study of the possibility of functionalization of C20 fullerene with the simplest ketene CH2CO

Рубрики