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在“
SpringerLink电子期刊
”中,
命中:
2
条,耗时:小于0.01 秒
1.
Quantum chemical studies of pyrimidin-4-ones 4.* Electronic structure and reactivity of substituted 2-oxo(thioxo)thieno[2,3-d]pyrimidin-4-ones. Mechanism of ipso-substitution of methyl group by ni
作者:
M. Kh. Mamarahmonov
;
L. I. Belen’kii
;
N. D. Chuvylkin…
关键词:2 ;
oxo(thioxo)thieno[2
3 ;
d]pyrimidin
4 ;
ones
;
ipso
;
substitution
;
quantum chemical calculations (HF and DFT)
刊名:Russian Chemical Bulletin
出版年:2014
2.
Quantum chemical studies of pyrimidin-4-ones 3. 2-Oxo(thioxo, selenoxo)pyrimidin-4-ones and 5,6-dimethyl-2-oxo(thioxo)thieno[2,3-d]pyrimidin-4-ones
作者:
M. Kh. Mamarakhmonov
;
L. I. Belen’kii
;
N. D. Chuvylkin…
关键词:
quantum chemical calculations
;
density functional theory (DFT)
;
DFT/B3LYP/3
;
21G method
;
Hartree
;
Fock approximation
;
2
;
oxo
;
2
;
thioxo
;
2
;
selenoxo
;
substituted pyrimidin
4 ;
ones
;
5
6 ;
dimethyl
2 ;
oxo(thioxo)thieno[2
3 ;
d]pyrimidin
4 ;
ones
;
tautomerism
;
geometry
;
electronic structure
;
reactivity
刊名:Russian Chemical Bulletin
出版年:2014
1
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