Рубрики
Теория строения молекул и химической связи
стр.0
Phototautomerism of isocytosine in a water medium:
Theoretical and experimental study
(being prepared for publication)
стр.0
Theoretical study of the interaction of ethanol
with the (3,5-dimethylpyrazole-N2)(N-salicylidenephenyl-
alaninato-O,N,O')copper(II) complex
(being prepared for publication)

стр.0
Synthesis, characterization, crystal structure, and DFT study
of 4-bromo-2-(4,6-dichloro-phenylimino)-phenol
(being prepared for publication)

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

Рубрики