| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio molecular orbital and density functional studies on the ring-opening reaction of 2H-thiete
|
Jayaprakash, S.
|
|
2015
|
1056 |
C |
p. 52-55
4 p.
|
artikel
|
| 2 |
A comparison of the Simmons-Smith reaction with carbenoids to nitrenoids and oxenoids
|
Khani, Sarah Karbalaei
|
|
2015
|
1056 |
C |
p. 61-73
13 p.
|
artikel
|
| 3 |
A DFT study on the difference of C–H bond activation by Pd(II) and Pd(IV) complex
|
Zhao, Xue
|
|
2015
|
1056 |
C |
p. 41-46
6 p.
|
artikel
|
| 4 |
A new ab initio potential energy surface and infrared spectra for the Ne–CS2 complex
|
Hu, Yun
|
|
2015
|
1056 |
C |
p. 47-51
5 p.
|
artikel
|
| 5 |
Density functional theory study of potassium atom adsorbing on the interior and exterior of a series of carbon nanotubes
|
Yang, Junwei
|
|
2015
|
1056 |
C |
p. 37-40
4 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2015
|
1056 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
Effects of substituent groups and solvent media on Pyrene in ground and excited states: A DFT and TDDFT study
|
Örücü, Hümeyra
|
|
2015
|
1056 |
C |
p. 11-18
8 p.
|
artikel
|
| 8 |
First-principles study of lithium insertion into Si10H16 cluster
|
Sun, Yong-Lie
|
|
2015
|
1056 |
C |
p. 56-60
5 p.
|
artikel
|
| 9 |
Mechanism of the collision energy and reagent vibration’s effects on the collision time for the reaction Ca+HCl
|
He, Xiaohu
|
|
2015
|
1056 |
C |
p. 1-10
10 p.
|
artikel
|
| 10 |
Study of structures, energies and vibrational frequencies of (O2) n + (n =2–5) clusters by GGA and meta-GGA density functional methods
|
Khanal, Govinda Prasad
|
|
2015
|
1056 |
C |
p. 24-36
13 p.
|
artikel
|
| 11 |
Theoretical study of reactions of atomic carbon with some π-systems
|
Sauers, Ronald R.
|
|
2015
|
1056 |
C |
p. 19-23
5 p.
|
artikel
|
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