| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of mechanism of forming a spiro-Ge-heterocyclic ring compound from H2GeGe: and formaldehyde
|
Lu, Xiuhui
|
|
2013
|
1007 |
C |
p. 76-81
6 p.
|
artikel
|
| 2 |
Comparative theoretical studies of energetic dodecahydrodiimidazo[4,5-b:4′,5′-e]pyrazine derivatives
|
Zhao, Guozheng
|
|
2013
|
1007 |
C |
p. 57-62
6 p.
|
artikel
|
| 3 |
Editorial Board
|
|
|
2013
|
1007 |
C |
p. IFC-
1 p.
|
artikel
|
| 4 |
First-principles investigations on C 5 O 5 - / 0 and C 6 O 6 - / 0 oxocarbons
|
Guo, Jin-Chang
|
|
2013
|
1007 |
C |
p. 9-14
6 p.
|
artikel
|
| 5 |
Mechanistic insights into the bioactivation of phenacetin to reactive metabolites: A DFT study
|
Taxak, Nikhil
|
|
2013
|
1007 |
C |
p. 48-56
9 p.
|
artikel
|
| 6 |
MP2//DFT calculations of interaction energies between acetaminophen and acetaminophen analogues and the aryl sulfotransferase active site
|
DiGiovanni, Katherine M.
|
|
2013
|
1007 |
C |
p. 41-47
7 p.
|
artikel
|
| 7 |
New bimolecular mechanistic pathway for 1,3-hydrogen shift in allenamide and allene system: A theoretical prediction
|
Basak, Atanu
|
|
2013
|
1007 |
C |
p. 15-30
16 p.
|
artikel
|
| 8 |
Strongly separated pairs of core electrons in computed ground states of small molecules
|
Gottlieb, Alex D.
|
|
2013
|
1007 |
C |
p. 82-89
8 p.
|
artikel
|
| 9 |
Theoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF3CH2CH2OH with OH radical
|
Jin, Tong-yin
|
|
2013
|
1007 |
C |
p. 63-75
13 p.
|
artikel
|
| 10 |
Theoretical study on halide anion recognitions by pyrrole- and benzene-strapped calix[4]pyrroles
|
Xie, Ju
|
|
2013
|
1007 |
C |
p. 1-8
8 p.
|
artikel
|
| 11 |
Theoretical study on β-H elimination in Heck reactions of heterocyclic substrates
|
Tang, Shi-Ya
|
|
2013
|
1007 |
C |
p. 31-40
10 p.
|
artikel
|
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