| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT study of the role of Lewis acid catalysts in the mechanism of the 1,3-dipolar cycloaddition of nitrile imines towards electron-deficient acryloyl derivatives
|
Domingo, Luis R.
|
|
2012
|
986 |
C |
p. 6-13
8 p.
|
artikel
|
| 2 |
Differences in hydration between cis- and trans-platin: Quantum insights by ab initio fragment molecular orbital-based molecular dynamics (FMO-MD)
|
Mori, Hirotoshi
|
|
2012
|
986 |
C |
p. 30-34
5 p.
|
artikel
|
| 3 |
Editorial Board
|
|
|
2012
|
986 |
C |
p. IFC-
1 p.
|
artikel
|
| 4 |
Electronic structures and spectroscopy of sulfonated oligo(aryl ether ketones)
|
Tu, Zhengyuan
|
|
2012
|
986 |
C |
p. 1-5
5 p.
|
artikel
|
| 5 |
First-principles study of the geometrical and electronic structures of In n N2 (n =1–10) clusters
|
Zhang, Wen-qing
|
|
2012
|
986 |
C |
p. 57-62
6 p.
|
artikel
|
| 6 |
Heats of formation for the boronic acids R–B(OH)2 and boroxines R3B3O3 (R=H, Li, HBe, H2B, H3C, H2N, HO, F, and Cl) calculated at the G2, G3, and G4 levels of theory
|
Bock, Charles W.
|
|
2012
|
986 |
C |
p. 35-42
8 p.
|
artikel
|
| 7 |
Origin of regioselectivity of Ni-catalyzed N-butenyl-substituted imidazolium salt annulation reaction: A theoretical study
|
Wang, Chen
|
|
2012
|
986 |
C |
p. 71-78
8 p.
|
artikel
|
| 8 |
Quantum wave packet calculation of the O(3P)+H2 reaction on the new potential energy surfaces for the two lowest states
|
Zhai, Hongsheng
|
|
2012
|
986 |
C |
p. 25-29
5 p.
|
artikel
|
| 9 |
Structural variation facilitate alkylation: A conceptual DFT study
|
Neog, Babul
|
|
2012
|
986 |
C |
p. 79-84
6 p.
|
artikel
|
| 10 |
Tautomeric transformations and reactivity of alloxan
|
Kakkar, Rita
|
|
2012
|
986 |
C |
p. 14-24
11 p.
|
artikel
|
| 11 |
Theoretical studies of the formation of quaternary pyridinium mesylates
|
Nowacki, Andrzej
|
|
2012
|
986 |
C |
p. 85-92
8 p.
|
artikel
|
| 12 |
Theoretical study of coumarin derivatives as chemosensors for fluoride anion
|
Jin, Ruifa
|
|
2012
|
986 |
C |
p. 93-98
6 p.
|
artikel
|
| 13 |
Theoretical study on the dimerization reactions of silabenzenes
|
Wang, Yan
|
|
2012
|
986 |
C |
p. 43-47
5 p.
|
artikel
|
| 14 |
Theoretical study on the formation of a pentacyclo-undecane cage lactam
|
Singh, Thishana
|
|
2012
|
986 |
C |
p. 63-70
8 p.
|
artikel
|
| 15 |
The structural investigation on small methane clusters described by two different potentials
|
Takeuchi, Hiroshi
|
|
2012
|
986 |
C |
p. 48-56
9 p.
|
artikel
|
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